CAS RN: 32214-49-6
CAS Name: (2E)-7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid
OPENEYE Name: (2E)-7-(2-amino-2-carboxy-ethyl)-2-[7-(2-amino-2-carboxy-ethyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid
IUPAC Name: (2E)-7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid
SYSTEMATIC NAME: (2E)-7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-[7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene]-5-oxidanyl-1,4-benzothiazine-3-carboxylic acid
MOLECULAR FORMULA: C23H20N4O9S2
MOLECULAR WEIGHT: 560.5563
SMILES: C1=C(C=C2C(=C1O)NC(=O)/C(=C\3/C(=NC4=C(C=C(C=C4S3)CC(C(=O)O)N)O)C(=O)O)/S2)CC(C(=O)O)N
Structure:
CAS RN: 31715-42-1
CAS Name: 1-amino-4-(butan-2-ylamino)-5-hydroxy-8-nitroanthracene-9,10-dione
OPENEYE Name: 1-amino-5-hydroxy-8-nitro-4-(sec-butylamino)anthracene-9,10-dione
IUPAC Name: 1-amino-4-(butan-2-ylamino)-5-hydroxy-8-nitroanthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-4-(butan-2-ylamino)-8-nitro-5-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C18H17N3O5
MOLECULAR WEIGHT: 355.34468
SMILES: CCC(C)NC1=C2C(=C(C=C1)N)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-]
Structure:
CAS RN: 31361-99-6
CAS Name: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate
OPENEYE Name: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate
IUPAC Name: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate
SYSTEMATIC NAME: sodium 5-[[2-nitro-4-(phenylsulfamoyl)phenyl]amino]-2-phenylazanyl-benzenesulfonate
MOLECULAR FORMULA: C24H19N4NaO7S2
MOLECULAR WEIGHT: 562.55003
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 31303-42-1
CAS Name: chromium(3+); (1Z)-3-(2,5-dihydroxyphenyl)-1-(2-oxocyclopentylidene)-1-propanolate; 2-[(5-nitro-2-oxidophenyl)iminomethyl]-3,5-dipropoxyphenolate; hydrate
OPENEYE Name: chromic; (1Z)-3-(2,5-dihydroxyphenyl)-1-(2-oxocyclopentylidene)propan-1-olate; 2-[(5-nitro-2-oxido-phenyl)iminomethyl]-3,5-dipropoxy-phenolate; hydrate
IUPAC Name: chromium(3+); (1Z)-3-(2,5-dihydroxyphenyl)-1-(2-oxocyclopentylidene)propan-1-olate; 2-[(5-nitro-2-oxidophenyl)iminomethyl]-3,5-dipropoxyphenolate; hydrate
SYSTEMATIC NAME: (1Z)-3-[2,5-bis(oxidanyl)phenyl]-1-(2-oxidanylidenecyclopentylidene)propan-1-olate; chromium(3+); 2-[(5-nitro-2-oxidanidyl-phenyl)iminomethyl]-3,5-dipropoxy-phenolate; hydrate
MOLECULAR FORMULA: C33H37CrN2O11
MOLECULAR WEIGHT: 689.64978
SMILES: CCCOC1=CC(=C(C(=C1)[O-])C=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OCCC.C1C/C(=C(\CCC2=C(C=CC(=C2)O)O)/[O-])/C(=O)C1.O.[Cr+3]
Structure:
CAS RN: 31025-53-3
CAS Name: 5-hydroxy-2-phenyl-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C21H20O9
MOLECULAR WEIGHT: 416.3781
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Structure:
CAS RN: 30542-87-1
CAS Name: 5,7-dinitro-N-propan-2-yl-2-(trifluoromethyl)-1H-benzimidazol-4-amine
OPENEYE Name: N-isopropyl-5,7-dinitro-2-(trifluoromethyl)-1H-benzimidazol-4-amine
IUPAC Name: 5,7-dinitro-N-propan-2-yl-2-(trifluoromethyl)-1H-benzimidazol-4-amine
SYSTEMATIC NAME: 5,7-dinitro-N-propan-2-yl-2-(trifluoromethyl)-1H-benzimidazol-4-amine
MOLECULAR FORMULA: C11H10F3N5O4
MOLECULAR WEIGHT: 333.22341
SMILES: CC(C)NC1=C(C=C(C2=C1N=C(N2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6878-93-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: CN1CC[C@]23C=C(CC=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC
Structure:
CAS RN: 1325-01-5
CAS Name: barium(2+); 2-[2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzoate
OPENEYE Name: barium(2+); 2-[2-(2-oxo-1-naphthylidene)hydrazino]benzoate
IUPAC Name: barium(2+); 2-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzoate
SYSTEMATIC NAME: barium(2+); 2-[2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzoate
MOLECULAR FORMULA: C34H22BaN4O6
MOLECULAR WEIGHT: 719.88868
SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=CC=C3C(=O)[O-].[Ba+2]
Structure:
CAS RN: 6372-81-2
CAS Name: barium(2+); 2-[2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzoate
OPENEYE Name: barium(2+); 2-[2-(2-oxo-1-naphthylidene)hydrazino]benzoate
IUPAC Name: barium(2+); 2-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzoate
SYSTEMATIC NAME: barium(2+); 2-[2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzoate
MOLECULAR FORMULA: C34H22BaN4O6
MOLECULAR WEIGHT: 719.88868
SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=CC=C3C(=O)[O-].[Ba+2]
Structure:
CAS RN: 3792-68-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3)C=C(C=C4)O)O
Structure:
CAS RN: 1941-66-8
CAS Name: (2R)-2-[[(2R)-2-[[(3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]propanoic acid
OPENEYE Name: (2R)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoic
IUPAC Name: (2R)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoic
MOLECULAR FORMULA: C23H36N4O20P2
MOLECULAR WEIGHT: 750.494262
SMILES: C[C@H](C(=O)O)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O
Structure:
CAS RN: 572-30-5
CAS Name: 3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H18O11
MOLECULAR WEIGHT: 434.35032
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O
Structure:
CAS RN: 25392-50-1
CAS Name: 7-hydroxy-4-(4-morpholinylmethyl)-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-4-(morpholinomethyl)chromen-2-one
IUPAC Name: 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
SYSTEMATIC NAME: 4-(morpholin-4-ylmethyl)-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C14H15NO4
MOLECULAR WEIGHT: 261.2732
SMILES: C1COCCN1CC2=CC(=O)OC3=C2C=CC(=C3)O
Structure:
CAS RN: 29169-79-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N4O5
MOLECULAR WEIGHT: 606.71072
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OC)C)C)CC)C
Structure:
CAS RN: 28777-01-7
CAS Name: copper; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
OPENEYE Name: copper; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-7-ethyl-3,13,17-trimethyl-8-(oxidomethylene)-12-vinyl-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
IUPAC Name: copper; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
SYSTEMATIC NAME: copper; (8E)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidanidylmethylidene)-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-18-(3-oxidanidyl-3-oxidanylidene-propyl)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
MOLECULAR FORMULA: C34H32CuN4O7
MOLECULAR WEIGHT: 672.18648
SMILES: [H+].[H+].[H+].CCC\1=C2C=C3C(=C(C(=C(C4=NC(=CC5=NC(=CC(=N2)/C1=C/[O-])C(=C5C)C=C)C(C4CCC(=O)[O-])C)CC(=O)[O-])[N-]3)C(=O)[O-])C.[Cu+2]
Structure:
CAS RN: 27268-50-4
CAS Name: 3-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate; N,N-diethylethanamine
OPENEYE Name: 3-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; N,N-diethylethanamine
IUPAC Name: 3-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; N,N-diethylethanamine
SYSTEMATIC NAME: 3-[(2Z)-5-chloranyl-2-[(2E)-2-[[5-chloranyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; N,N-diethylethanamine
MOLECULAR FORMULA: C31H41Cl2N3O6S4
MOLECULAR WEIGHT: 750.83974
SMILES: CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CCCS(=O)(=O)[O-].CCN(CC)CC
Structure:
CAS RN: 1400-87-9
CAS Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
OPENEYE Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-8-formyl-3,13,17-trimethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
IUPAC Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: (17S,18S)-12-ethenyl-7-ethyl-20-(2-hydroxy-2-oxoethyl)-18-(3-hydroxy-3-oxopropyl)-8-methanoyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C34H34N4O7
MOLECULAR WEIGHT: 610.65636
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C=O)N2)N5)C=C)C)C)CCC(=O)O)CC(=O)O)C(=O)O)C
Structure:
CAS RN: 26677-12-3
CAS Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
OPENEYE Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-8-formyl-3,13,17-trimethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
IUPAC Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: (17S,18S)-12-ethenyl-7-ethyl-20-(2-hydroxy-2-oxoethyl)-18-(3-hydroxy-3-oxopropyl)-8-methanoyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C34H34N4O7
MOLECULAR WEIGHT: 610.65636
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C=O)N2)N5)C=C)C)C)CCC(=O)O)CC(=O)O)C(=O)O)C
Structure:
CAS RN: 28848-89-7
CAS Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
OPENEYE Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-8-formyl-3,13,17-trimethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
IUPAC Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: (17S,18S)-12-ethenyl-7-ethyl-20-(2-hydroxy-2-oxoethyl)-18-(3-hydroxy-3-oxopropyl)-8-methanoyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C34H34N4O7
MOLECULAR WEIGHT: 610.65636
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C=O)N2)N5)C=C)C)C)CCC(=O)O)CC(=O)O)C(=O)O)C
Structure:
CAS RN: 6811-51-4
CAS Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
OPENEYE Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-8-formyl-3,13,17-trimethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
IUPAC Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-8-formyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: (17S,18S)-12-ethenyl-7-ethyl-20-(2-hydroxy-2-oxoethyl)-18-(3-hydroxy-3-oxopropyl)-8-methanoyl-3,13,17-trimethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C34H34N4O7
MOLECULAR WEIGHT: 610.65636
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C=O)N2)N5)C=C)C)C)CCC(=O)O)CC(=O)O)C(=O)O)C
Structure:
CAS RN: 26626-12-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@@H]3[C@@H](CC4)O
Structure:
CAS RN: 25978-39-6
CAS Name: N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)-1-butanamine
OPENEYE Name: N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)butan-1-amine
IUPAC Name: N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)butan-1-amine
SYSTEMATIC NAME: N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)butan-1-amine
MOLECULAR FORMULA: C17H21N3
MOLECULAR WEIGHT: 267.36874
SMILES: CC1=NC=C(C2=C1NC3=CC=CC=C32)CCCCNC
Structure:
CAS RN: 25593-03-7
CAS Name: 2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenyl)hydrazono]cyclohexa-2,5-dien-1-one
IUPAC Name: 2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C12HF9N2O
MOLECULAR WEIGHT: 360.134769
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)NN=C2C(=C(C(=O)C(=C2F)F)F)F
Structure:
CAS RN: 25255-10-1
CAS Name: 6-imino-5-[[4-[[[4-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]-2-sulfoanilino]-oxomethyl]amino]-3-sulfophenyl]hydrazo]-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: 6-imino-5-[2-[4-[[4-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]-2-sulfo-phenyl]carbamoylamino]-3-sulfo-phenyl]hydrazino]-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: 6-imino-5-[2-[4-[[4-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]-2-sulfophenyl]carbamoylamino]-3-sulfophenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanylidene-5-[2-[4-[[4-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-2-sulfo-phenyl]carbamoylamino]-3-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C33H26N8O15S4
MOLECULAR WEIGHT: 902.86414
SMILES: C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=CC(=C(C=C3)NC(=O)NC4=C(C=C(C=C4)NNC5=C6C(=CC(=CC6=O)S(=O)(=O)O)C=CC5=N)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 25243-59-8
CAS Name: acetic acid 2-[(2E)-2-[(E)-3-[1-(2-acetyloxyethyl)-5,6-dichloro-3-ethyl-2-benzimidazol-1-iumyl]prop-2-enylidene]-5,6-dichloro-3-ethyl-1-benzimidazolyl]ethyl ester bromide
OPENEYE Name: 2-[(2E)-2-[(E)-3-[1-(2-acetoxyethyl)-5,6-dichloro-3-ethyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-5,6-dichloro-3-ethyl-benzimidazol-1-yl]ethyl acetate bromide
IUPAC Name: 2-[(2E)-2-[(E)-3-[1-(2-acetyloxyethyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-2-yl]prop-2-enylidene]-5,6-dichloro-3-ethylbenzimidazol-1-yl]ethyl acetate bromide
SYSTEMATIC NAME: 2-[(2E)-2-[(E)-3-[1-(2-acetyloxyethyl)-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]ethyl ethanoate bromide
MOLECULAR FORMULA: C29H31BrCl4N4O4
MOLECULAR WEIGHT: 721.29684
SMILES: CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C/3\N(C4=CC(=C(C=C4N3CCOC(=O)C)Cl)Cl)CC)CCOC(=O)C)Cl)Cl.[Br-]
Structure:
CAS RN: 23843-90-5
CAS Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-hydroxypropane-1,2,3-tricarboxylate
OPENEYE Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione citrate
IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C28H29N2O15-3
MOLECULAR WEIGHT: 633.53426
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
Structure:
CAS RN: 23779-67-1
CAS Name: (2Z)-5-chloro-3-methyl-2-[(2E)-2-(1-methyl-2-phenyl-3-indol-1-iumylidene)ethylidene]-6-nitro-1,3-benzothiazole; 4-methylbenzenesulfonate
OPENEYE Name: (2Z)-5-chloro-3-methyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]-6-nitro-1,3-benzothiazole; 4-methylbenzenesulfonate
IUPAC Name: (2Z)-5-chloro-3-methyl-2-[(2E)-2-(1-methyl-2-phenylindol-1-ium-3-ylidene)ethylidene]-6-nitro-1,3-benzothiazole; 4-methylbenzenesulfonate
SYSTEMATIC NAME: (2Z)-5-chloranyl-3-methyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]-6-nitro-1,3-benzothiazole; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C32H26ClN3O5S2
MOLECULAR WEIGHT: 632.14894
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC(=C(C=C2S/C1=C\C=C\3/C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C)[N+](=O)[O-])Cl
Structure:
CAS RN: 23670-94-2
CAS Name: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
IUPAC Name: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
MOLECULAR FORMULA: C29H46O2
MOLECULAR WEIGHT: 426.67434
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C)C(C)C
Structure:
CAS RN: 22855-28-3
CAS Name: 6-bromo-1,4-dihydropyrazino[2,3-b]pyrazine-2,3-dione
OPENEYE Name: 6-bromo-1,4-dihydropyrazino[2,3-b]pyrazine-2,3-dione
IUPAC Name: 6-bromo-1,4-dihydropyrazino[2,3-b]pyrazine-2,3-dione
SYSTEMATIC NAME: 6-bromanyl-1,4-dihydropyrazino[2,3-b]pyrazine-2,3-dione
MOLECULAR FORMULA: C6H3BrN4O2
MOLECULAR WEIGHT: 243.01762
SMILES: C1=C(N=C2C(=N1)NC(=O)C(=O)N2)Br
Structure:
CAS RN: 22783-08-0
CAS Name: 5-hydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-1-benzopyran-2-yl)-2-methoxyphenyl]-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5-hydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-8-[2-methoxy-5-(7-methoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)phenyl]-2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C34H26O10
MOLECULAR WEIGHT: 594.56424
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC
Structure:
CAS RN: 20979-43-5
CAS Name: 7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
IUPAC Name: 7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-methoxy-7-oxidanyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C19H18O7
MOLECULAR WEIGHT: 358.34202
SMILES: COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)OC
Structure:
CAS RN: 20857-12-9
CAS Name: (6E)-6-[amino(ethoxy)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[amino(ethoxy)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[amino(ethoxy)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[azanyl(ethoxy)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CCO/C(=C/1\C=CC=CC1=O)/N
Structure:
CAS RN: 20314-31-2
CAS Name: (2S)-2,6-diamino-N-[(2S)-2-(2-naphthalenylamino)-1-oxopropyl]hexanamide
OPENEYE Name: (2S)-2,6-diamino-N-[(2S)-2-(2-naphthylamino)propanoyl]hexanamide
IUPAC Name: (2S)-2,6-diamino-N-[(2S)-2-(naphthalen-2-ylamino)propanoyl]hexanamide
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)-N-[(2S)-2-(naphthalen-2-ylamino)propanoyl]hexanamide
MOLECULAR FORMULA: C19H26N4O2
MOLECULAR WEIGHT: 342.43534
SMILES: C[C@@H](C(=O)NC(=O)[C@H](CCCCN)N)NC1=CC2=CC=CC=C2C=C1
Structure:
CAS RN: 19426-59-6
CAS Name: potassium; (Z)-4-oxo-2-penten-2-olate; (E)-4-oxo-2-penten-2-olate; platinum(2+)
OPENEYE Name: potassium; (Z)-4-oxopent-2-en-2-olate; (E)-4-oxopent-2-en-2-olate; platinum(2+)
IUPAC Name: potassium; (Z)-4-oxopent-2-en-2-olate; (E)-4-oxopent-2-en-2-olate; platinum(2+)
SYSTEMATIC NAME: potassium; (Z)-4-oxidanylidenepent-2-en-2-olate; (E)-4-oxidanylidenepent-2-en-2-olate; platinum(2+)
MOLECULAR FORMULA: C15H21KO6Pt
MOLECULAR WEIGHT: 531.49994
SMILES: C/C(=C\C(=O)C)/[O-].C/C(=C\C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[K+].[Pt+2]
Structure:
CAS RN: 18535-39-2
CAS Name: 3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)-2-porphyrin-21-idyl]propanoate; hydron; iron(2+)
OPENEYE Name: ferrous; 3-[(17Z)-18-(2-carboxylatoethyl)-12-(1-hydroxy-5,9,13-trimethyl-tetradecyl)-3,8,13-trimethyl-17-(oxidomethylene)-7-vinyl-porphyrin-21-id-2-yl]propanoate; hydron
IUPAC Name: 3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)
SYSTEMATIC NAME: 3-[(17Z)-7-ethenyl-3,8,13-trimethyl-17-(oxidanidylmethylidene)-18-(3-oxidanidyl-3-oxidanylidene-propyl)-12-(5,9,13-trimethyl-1-oxidanyl-tetradecyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)
MOLECULAR FORMULA: C49H62FeN4O6
MOLECULAR WEIGHT: 858.88478
SMILES: [H+].[H+].CC1=C(C2=CC3=C(/C(=C/[O-])/C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CCCC(C)CCCC(C)CCCC(C)C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+2]
Structure:
CAS RN: 58916-42-0
CAS Name: 3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)-2-porphyrin-21-idyl]propanoate; hydron; iron(2+)
OPENEYE Name: ferrous; 3-[(17Z)-18-(2-carboxylatoethyl)-12-(1-hydroxy-5,9,13-trimethyl-tetradecyl)-3,8,13-trimethyl-17-(oxidomethylene)-7-vinyl-porphyrin-21-id-2-yl]propanoate; hydron
IUPAC Name: 3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)
SYSTEMATIC NAME: 3-[(17Z)-7-ethenyl-3,8,13-trimethyl-17-(oxidanidylmethylidene)-18-(3-oxidanidyl-3-oxidanylidene-propyl)-12-(5,9,13-trimethyl-1-oxidanyl-tetradecyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)
MOLECULAR FORMULA: C49H62FeN4O6
MOLECULAR WEIGHT: 858.88478
SMILES: [H+].[H+].CC1=C(C2=CC3=C(/C(=C/[O-])/C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CCCC(C)CCCC(C)CCCC(C)C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+2]
Structure:
CAS RN: 18462-64-1
CAS Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)-2-benzimidazol-3-iumyl]prop-2-enylidene]-3-ethyl-1-benzimidazolyl]-1-butanesulfonate
OPENEYE Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]butane-1-sulfonate
IUPAC Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate
SYSTEMATIC NAME: sodium 4-[(2E)-2-[(E)-3-[5,6-bis(chloranyl)-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]butane-1-sulfonate
MOLECULAR FORMULA: C29H33Cl4N4NaO6S2
MOLECULAR WEIGHT: 762.52729
SMILES: CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C/3\N(C4=CC(=C(C=C4N3CCCCS(=O)(=O)[O-])Cl)Cl)CC)CCCCS(=O)(=O)[O-])Cl)Cl.[Na+]
Structure:
CAS RN: 76135-96-1
CAS Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)-2-benzimidazol-3-iumyl]prop-2-enylidene]-3-ethyl-1-benzimidazolyl]-1-butanesulfonate
OPENEYE Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]butane-1-sulfonate
IUPAC Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate
SYSTEMATIC NAME: sodium 4-[(2E)-2-[(E)-3-[5,6-bis(chloranyl)-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]butane-1-sulfonate
MOLECULAR FORMULA: C29H33Cl4N4NaO6S2
MOLECULAR WEIGHT: 762.52729
SMILES: CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C/3\N(C4=CC(=C(C=C4N3CCCCS(=O)(=O)[O-])Cl)Cl)CC)CCCCS(=O)(=O)[O-])Cl)Cl.[Na+]
Structure:
CAS RN: 898044-73-0
CAS Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)-2-benzimidazol-3-iumyl]prop-2-enylidene]-3-ethyl-1-benzimidazolyl]-1-butanesulfonate
OPENEYE Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]butane-1-sulfonate
IUPAC Name: sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate
SYSTEMATIC NAME: sodium 4-[(2E)-2-[(E)-3-[5,6-bis(chloranyl)-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]butane-1-sulfonate
MOLECULAR FORMULA: C29H33Cl4N4NaO6S2
MOLECULAR WEIGHT: 762.52729
SMILES: CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C/3\N(C4=CC(=C(C=C4N3CCCCS(=O)(=O)[O-])Cl)Cl)CC)CCCCS(=O)(=O)[O-])Cl)Cl.[Na+]
Structure:
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