CAS RN: 83249-41-6
CAS Name: disodium 2-[(4-chloro-2-methylanilino)-(methyleneamino)amino]-5-[methyl(2-sulfonatoethyl)sulfamoyl]benzoate
OPENEYE Name: disodium 2-[(4-chloro-2-methyl-anilino)-(methyleneamino)amino]-5-[methyl(2-sulfonatoethyl)sulfamoyl]benzoate
IUPAC Name: disodium 2-[(4-chloro-2-methylanilino)-(methylideneamino)amino]-5-[methyl(2-sulfonatoethyl)sulfamoyl]benzoate
SYSTEMATIC NAME: disodium 2-[[(4-chloranyl-2-methyl-phenyl)amino]-(methylideneamino)amino]-5-[methyl(2-sulfonatoethyl)sulfamoyl]benzoate
MOLECULAR FORMULA: C18H19ClN4Na2O7S2
MOLECULAR WEIGHT: 548.9286
SMILES: CC1=C(C=CC(=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)N(C)CCS(=O)(=O)[O-])C(=O)[O-])N=C.[Na+].[Na+]
CAS RN: 875148-45-1
CAS Name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-N-methyl-4-pyrazolecarboxamide hydrate
OPENEYE Name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]-N-methyl-pyrazole-4-carboxamide hydrate
IUPAC Name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide hydrate
SYSTEMATIC NAME: 1-[6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]-N-methyl-pyrazole-4-carboxamide hydrate
MOLECULAR FORMULA: C15H20N8O6
MOLECULAR WEIGHT: 408.3693
SMILES: CNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)N)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O.O
CAS RN: 74220-37-4
CAS Name: (S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol hydrochloride
OPENEYE Name: (S)-4-quinolyl-[(4R,5S)-5-vinylquinuclidin-2-yl]methanol hydrochloride
IUPAC Name: (S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol hydrochloride
SYSTEMATIC NAME: (S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol hydrochloride
MOLECULAR FORMULA: C19H23ClN2O
MOLECULAR WEIGHT: 330.85172
SMILES: C=C[C@@H]1CN2CC[C@@H]1CC2[C@H](C3=CC=NC4=CC=CC=C34)O.Cl
CAS RN: 72797-21-8
CAS Name: (5E)-3-ethyl-2-[(Z)-(1-ethyl-2-benzo[e][1,3]benzothiazolylidene)methyl]-5-[(2E)-2-(1-ethyl-4-quinolinylidene)ethylidene]-4-thiazol-3-iumone; 4-methylbenzenesulfonate
OPENEYE Name: (5E)-3-ethyl-2-[(Z)-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]-5-[(2E)-2-(1-ethyl-4-quinolylidene)ethylidene]thiazol-3-ium-4-one; 4-methylbenzenesulfonate
IUPAC Name: (5E)-3-ethyl-2-[(Z)-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate
SYSTEMATIC NAME: (5E)-3-ethyl-2-[(Z)-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C39H37N3O4S3
MOLECULAR WEIGHT: 707.92378
SMILES: CCN1C=C/C(=C\C=C\2/C(=O)[N+](=C(S2)/C=C\3/N(C4=C(S3)C=CC5=CC=CC=C54)CC)CC)/C6=CC=CC=C61.CC1=CC=C(C=C1)S(=O)(=O)[O-]
CAS RN: 94726-83-7
CAS Name: (5E)-3-ethyl-2-[(Z)-(1-ethyl-2-benzo[e][1,3]benzothiazolylidene)methyl]-5-[(2E)-2-(1-ethyl-4-quinolinylidene)ethylidene]-4-thiazol-3-iumone; 4-methylbenzenesulfonate
OPENEYE Name: (5E)-3-ethyl-2-[(Z)-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]-5-[(2E)-2-(1-ethyl-4-quinolylidene)ethylidene]thiazol-3-ium-4-one; 4-methylbenzenesulfonate
IUPAC Name: (5E)-3-ethyl-2-[(Z)-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate
SYSTEMATIC NAME: (5E)-3-ethyl-2-[(Z)-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C39H37N3O4S3
MOLECULAR WEIGHT: 707.92378
SMILES: CCN1C=C/C(=C\C=C\2/C(=O)[N+](=C(S2)/C=C\3/N(C4=C(S3)C=CC5=CC=CC=C54)CC)CC)/C6=CC=CC=C61.CC1=CC=C(C=C1)S(=O)(=O)[O-]
CAS RN: 94088-87-6
CAS Name: (6R,7R)-7-[[2-amino-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
OPENEYE Name: (6R,7R)-7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
IUPAC Name: (6R,7R)-7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: (6R,7R)-7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C16H20ClN3O4S
MOLECULAR WEIGHT: 385.8657
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.Cl
CAS RN: 93963-74-7
CAS Name: (4R)-4-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3,4-dihydroxybutanoic acid
OPENEYE Name: (4R)-4-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3,4-dihydroxy-butanoic acid
IUPAC Name: (4R)-4-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-3,4-dihydroxybutanoic acid
SYSTEMATIC NAME: (4R)-3,4-bis(oxidanyl)-4-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]butanoic acid
MOLECULAR FORMULA: C24H34O7
MOLECULAR WEIGHT: 434.52256
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)([C@@H](C(CC(=O)O)O)O)O
CAS RN: 83763-60-4
CAS Name: trisodium (6Z)-4-[[5-chloro-6-(dichloromethyl)-2-fluoro-4-pyrimidinyl]amino]-5-oxo-6-[(1-sulfonato-2-naphthalenyl)hydrazinylidene]naphthalene-1,7-disulfonate
OPENEYE Name: trisodium (6Z)-4-[[5-chloro-6-(dichloromethyl)-2-fluoro-pyrimidin-4-yl]amino]-5-oxo-6-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-1,7-disulfonate
IUPAC Name: trisodium (6Z)-4-[[5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-yl]amino]-5-oxo-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-1,7-disulfonate
SYSTEMATIC NAME: trisodium (6Z)-4-[[6-[bis(chloranyl)methyl]-5-chloranyl-2-fluoranyl-pyrimidin-4-yl]amino]-5-oxidanylidene-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-1,7-disulfonate
MOLECULAR FORMULA: C25H12Cl3FN5Na3O10S3
MOLECULAR WEIGHT: 832.911993
SMILES: C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N/N=C/3\C(=CC4=C(C=CC(=C4C3=O)NC5=NC(=NC(=C5Cl)C(Cl)Cl)F)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 84100-44-7
CAS Name: ammonium 4-(3-carboxy-4-hydroxyphenyl)sulfonyl-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonate
OPENEYE Name: ammonium 4-(3-carboxy-4-hydroxy-phenyl)sulfonyl-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonate
IUPAC Name: azanium 4-(3-carboxy-4-hydroxyphenyl)sulfonyl-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: azanium 4-(3-carboxy-4-oxidanyl-phenyl)sulfonyl-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C26H26N4O9S2
MOLECULAR WEIGHT: 602.63604
SMILES: CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O.[NH4+]
CAS RN: 150457-39-9
CAS Name: 2,6-ditert-butyl-4-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)-1-cyclohexa-2,5-dienone
OPENEYE Name: 2,6-ditert-butyl-4-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)cyclohexa-2,5-dien-1-one
IUPAC Name: 2,6-ditert-butyl-4-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C21H26N2O3S
MOLECULAR WEIGHT: 386.50774
SMILES: CC(C)(C)C1=CC(=C2NC3=CC=CC=C3S(=O)(=O)N2)C=C(C1=O)C(C)(C)C
CAS RN: 84681-81-2
CAS Name: barium(2+); 2,5-dichloro-4-[3-methyl-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazol-1-yl]benzenesulfonate
OPENEYE Name: barium(2+); 2,5-dichloro-4-[3-methyl-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazol-1-yl]benzenesulfonate
IUPAC Name: barium(2+); 2,5-dichloro-4-[3-methyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: barium(2+); 2,5-bis(chloranyl)-4-[3-methyl-5-oxidanylidene-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C16H10BaCl2N4O7S2
MOLECULAR WEIGHT: 642.6362
SMILES: CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Ba+2]
CAS RN: 73338-66-6
CAS Name: pentapotassium 3-[2-[2-[bis(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]propanoate
OPENEYE Name: pentapotassium 3-[2-[2-[bis(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]propanoate
IUPAC Name: pentapotassium 3-[2-[2-[bis(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]propanoate
SYSTEMATIC NAME: pentapotassium 3-[2-[2-[bis(3-oxidanidyl-3-oxidanylidene-propyl)amino]ethyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]ethyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate
MOLECULAR FORMULA: C19H28K5N3O10
MOLECULAR WEIGHT: 653.93122
SMILES: C(CN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+]
CAS RN: 83918-64-3
CAS Name: 3,7-dimethyloct-6-enoxy-dimethoxy-methylsilane
OPENEYE Name: 3,7-dimethyloct-6-enoxy-dimethoxy-methyl-silane
IUPAC Name: 3,7-dimethyloct-6-enoxy-dimethoxy-methylsilane
SYSTEMATIC NAME: 3,7-dimethyloct-6-enoxy-dimethoxy-methyl-silane
MOLECULAR FORMULA: C13H28O3Si
MOLECULAR WEIGHT: 260.44512
SMILES: CC(CCC=C(C)C)CCO[Si](C)(OC)OC
CAS RN: 95008-88-1
CAS Name: (3E)-3-[[4-[[[3-[[[3-[[4-[(2Z)-2-(3-carboxy-4-oxo-5-sulfo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-methoxy-5-methylanilino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfo-1-cyclohexa-1,
OPENEYE Name: (3E)-3-[[4-[[3-[[3-[[4-[(2Z)-2-(3-carboxy-4-oxo-5-sulfo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-methoxy-5-methyl-phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-5-methoxy-2-methyl-phenyl]hydrazono]-6-oxo-5-sulfo-cyclohexa-1,4-diene-1-carboxylic ac
IUPAC Name: (3E)-3-[[4-[[3-[[3-[[4-[(2Z)-2-(3-carboxy-4-oxo-5-sulfocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-methoxy-5-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfocyclohexa-1,4-diene-1-carboxylic
SYSTEMATIC NAME: (3E)-3-[[4-[[3-[[3-[[4-[(2Z)-2-(3-carboxy-4-oxidanylidene-5-sulfo-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-methoxy-5-methyl-phenyl]carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]-5-methoxy-2-methyl-phenyl]hydrazinylidene]-6-oxidanylidene-5-sulfo-c
MOLECULAR FORMULA: C45H38N8O17S2
MOLECULAR WEIGHT: 1026.95662
SMILES: CC1=CC(=C(C=C1N/N=C/2\C=C(C(=O)C(=C2)S(=O)(=O)O)C(=O)O)OC)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C(=C5)C)N/N=C\6/C=C(C(=O)C(=C6)S(=O)(=O)O)C(=O)O)OC
CAS RN: 94279-03-5
CAS Name: (4-chlorophenyl)methyl-dimethyl-[3-(1-oxotetradecylamino)propyl]ammonium chloride
OPENEYE Name: (4-chlorophenyl)methyl-dimethyl-[3-(tetradecanoylamino)propyl]ammonium chloride
IUPAC Name: (4-chlorophenyl)methyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium chloride
SYSTEMATIC NAME: (4-chlorophenyl)methyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium chloride
MOLECULAR FORMULA: C26H46Cl2N2O
MOLECULAR WEIGHT: 473.56224
SMILES: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)Cl.[Cl-]
CAS RN: 93857-33-1
CAS Name: (2S)-5-oxo-2-pyrrolidinecarboxylic acid; 1-phthalazinylhydrazine
OPENEYE Name: (2S)-5-oxopyrrolidine-2-carboxylic acid; phthalazin-1-ylhydrazine
IUPAC Name: (2S)-5-oxopyrrolidine-2-carboxylic acid; phthalazin-1-ylhydrazine
SYSTEMATIC NAME: (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid; phthalazin-1-yldiazane
MOLECULAR FORMULA: C13H15N5O3
MOLECULAR WEIGHT: 289.2899
SMILES: C1CC(=O)N[C@@H]1C(=O)O.C1=CC=C2C(=C1)C=NN=C2NN
CAS RN: 94135-30-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34FNaO9
MOLECULAR WEIGHT: 556.552333
SMILES: C[C@]12C[C@@H](C3(C(C1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CCC(=O)[O-])CCC5=CC(=O)C=C[C@@]53C)F)O.[Na+]
CAS RN: 93841-01-1
CAS Name: ethyl(triphenyl)phosphonium; 4-(phenylmethyl)phenolate
OPENEYE Name: 4-benzylphenolate; ethyl(triphenyl)phosphonium
IUPAC Name: 4-benzylphenolate; ethyl(triphenyl)phosphanium
SYSTEMATIC NAME: ethyl(triphenyl)phosphanium; 4-(phenylmethyl)phenolate
MOLECULAR FORMULA: C33H31OP
MOLECULAR WEIGHT: 474.572401
SMILES: CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC2=CC=C(C=C2)[O-]
CAS RN: 94108-91-5
CAS Name: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonat
OPENEYE Name: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonat
SYSTEMATIC NAME: tetrasodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-(2-hydroxyethylamino)-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]be
MOLECULAR FORMULA: C42H47N13Na4O17S4
MOLECULAR WEIGHT: 1226.11856
SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)N(CCO)CCO.[Na+].[Na+].[Na+].[Na+]
CAS RN: 71662-15-2
CAS Name: tetraammonium [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonatooxymethyl)-2-oxanyl] phosphate
OPENEYE Name: tetraammonium [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonatooxymethyl)tetrahydropyran-2-yl] phosphate
IUPAC Name: tetraazanium [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonatooxymethyl)oxan-2-yl] phosphate
SYSTEMATIC NAME: tetraazanium [(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-(phosphonatooxymethyl)oxan-2-yl] phosphate
MOLECULAR FORMULA: C6H26N4O12P2
MOLECULAR WEIGHT: 408.237762
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
CAS RN: 91119-63-0
CAS Name: 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetate
IUPAC Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)ethylideneamino]oxyethanoate
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: CCN1C(=O)COC2=C1C=C(C=C2)/C(=N\OCC(=O)OCC)/C
CAS RN: 91449-99-9
CAS Name: 3-[[3-[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]-3-oxopropyl]thio]propanoic acid
OPENEYE Name: 3-[3-[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]-3-oxo-propyl]sulfanylpropanoic acid
IUPAC Name: 3-[3-[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]-3-oxopropyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 3-[3-[2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)-3-oxidanyl-propoxy]-3-oxidanylidene-propyl]sulfanylpropanoic acid
MOLECULAR FORMULA: C16H30O10S
MOLECULAR WEIGHT: 414.4684
SMILES: C(CSCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO)C(=O)O
CAS RN: 50976-31-3
CAS Name: sodium 3-carboxy-3-butenoate
OPENEYE Name: sodium 3-carboxybut-3-enoate
IUPAC Name: sodium 3-carboxybut-3-enoate
SYSTEMATIC NAME: sodium 3-carboxybut-3-enoate
MOLECULAR FORMULA: C5H5NaO4
MOLECULAR WEIGHT: 152.08057
SMILES: C=C(CC(=O)[O-])C(=O)O.[Na+]
CAS RN: 75150-22-0
CAS Name: [2,2-dimethyl-3-[(2-methyl-1-oxoprop-2-enyl)amino]propyl]-trimethylammonium; methyl sulfate; 2-propenamide
OPENEYE Name: [2,2-dimethyl-3-(2-methylprop-2-enoylamino)propyl]-trimethyl-ammonium; methyl sulfate; prop-2-enamide
IUPAC Name: [2,2-dimethyl-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium; methyl sulfate; prop-2-enamide
SYSTEMATIC NAME: [2,2-dimethyl-3-(2-methylprop-2-enoylamino)propyl]-trimethyl-azanium; methyl sulfate; prop-2-enamide
MOLECULAR FORMULA: C16H33N3O6S
MOLECULAR WEIGHT: 395.51472
SMILES: CC(=C)C(=O)NCC(C)(C)C[N+](C)(C)C.COS(=O)(=O)[O-].C=CC(=O)N
CAS RN: 18122-72-0
CAS Name: sodium pentaoxido(oxo)-$l^{7}-iodane
OPENEYE Name: sodium pentaoxido(oxo)-$l^{7}-iodane
IUPAC Name: sodium pentaoxido(oxo)-$l^{7}-iodane
SYSTEMATIC NAME: sodium pentakis(oxidanidyl)-oxidanylidene-$l^{7}-iodane
MOLECULAR FORMULA: INaO6-4
MOLECULAR WEIGHT: 245.89064
SMILES: [O-]I(=O)([O-])([O-])([O-])[O-].[Na+]
CAS RN: 103051-70-3
CAS Name: 2-methyl-2-propenoic acid 2-aminoethyl ester; 2-propenoic acid butyl ester; hydrochloride
OPENEYE Name: 2-aminoethyl 2-methylprop-2-enoate; butyl prop-2-enoate; hydrochloride
IUPAC Name: 2-aminoethyl 2-methylprop-2-enoate; butyl prop-2-enoate; hydrochloride
SYSTEMATIC NAME: 2-azanylethyl 2-methylprop-2-enoate; butyl prop-2-enoate; hydrochloride
MOLECULAR FORMULA: C13H24ClNO4
MOLECULAR WEIGHT: 293.78696
SMILES: CCCCOC(=O)C=C.CC(=C)C(=O)OCCN.Cl
CAS RN: 84100-38-9
CAS Name: N,N-diethylethanamine; 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
OPENEYE Name: N,N-diethylethanamine; 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
IUPAC Name: N,N-diethylethanamine; 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
SYSTEMATIC NAME: N,N-diethylethanamine; 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid
MOLECULAR FORMULA: C41H65N7O8S2
MOLECULAR WEIGHT: 848.1269
SMILES: CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C
CAS RN: 93893-40-4
CAS Name: 2-aminoethanol; 12-hydroxyoctadecanoic acid
OPENEYE Name: 2-aminoethanol; 12-hydroxyoctadecanoic acid
IUPAC Name: 2-aminoethanol; 12-hydroxyoctadecanoic acid
SYSTEMATIC NAME: 2-azanylethanol; 12-oxidanyloctadecanoic acid
MOLECULAR FORMULA: C20H43NO4
MOLECULAR WEIGHT: 361.55972
SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O.C(CO)N
CAS RN: 14676-93-8
CAS Name: chromium(3+); oxalate
OPENEYE Name: chromic oxalate
IUPAC Name: chromium(3+); oxalate
SYSTEMATIC NAME: chromium(3+); ethanedioate
MOLECULAR FORMULA: C2CrO4+
MOLECULAR WEIGHT: 140.0151
SMILES: C(=O)(C(=O)[O-])[O-].[Cr+3]
CAS RN: 70865-37-1
CAS Name: disodium 5-butyl-2-[[4-(4-butyl-2-sulfonatoanilino)-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate
OPENEYE Name: disodium 5-butyl-2-[[4-(4-butyl-2-sulfonato-anilino)-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]benzenesulfonate
IUPAC Name: disodium 5-butyl-2-[[4-(4-butyl-2-sulfonatoanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium 5-butyl-2-[[4-[(4-butyl-2-sulfonato-phenyl)amino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate
MOLECULAR FORMULA: C34H32N2Na2O10S2
MOLECULAR WEIGHT: 738.73482
SMILES: CCCCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)CCCC)S(=O)(=O)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)S(=O)(=O)[O-].[Na+].[Na+]
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