CAS RN: 77331-69-2
CAS Name: 11-amino-1-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-3,6-dihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
OPENEYE Name: 11-amino-1-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3,6-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
IUPAC Name: 11-amino-1-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3,6-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: 11-azanyl-1-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-10-methoxy-3,6-bis(oxidanyl)-3-(2-oxidanylethanoyl)-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C27H31ClN2O10
MOLECULAR WEIGHT: 578.99544
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=O)C4=C(C5=C(C=CC=C5OC)C(=C4C3=O)O)N)(C(=O)CO)O)N)O.Cl
Structure:
CAS RN: 76907-78-3
CAS Name: 1-hydroxy-3,4-dimethoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9-xanthenone
OPENEYE Name: 1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one
IUPAC Name: 1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dimethoxy-1-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C21H22O11
MOLECULAR WEIGHT: 450.39278
SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC
Structure:
CAS RN: 76907-77-2
CAS Name: 1,7-dihydroxy-3,4-dimethoxy-9-xanthenone
OPENEYE Name: 1,7-dihydroxy-3,4-dimethoxy-xanthen-9-one
IUPAC Name: 1,7-dihydroxy-3,4-dimethoxyxanthen-9-one
SYSTEMATIC NAME: 3,4-dimethoxy-1,7-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C15H12O6
MOLECULAR WEIGHT: 288.25218
SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)O)OC
Structure:
CAS RN: 76741-93-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H54N7O16P
MOLECULAR WEIGHT: 1003.942721
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O
Structure:
CAS RN: 29637-20-5
CAS Name: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]-2-butanesulfonate
OPENEYE Name: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
IUPAC Name: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
SYSTEMATIC NAME: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
MOLECULAR FORMULA: C30H30N2O4SSe
MOLECULAR WEIGHT: 593.5952
SMILES: CC/C(=C\C1=[N+](C2=CC=CC=C2[Se]1)CCC(C)S(=O)(=O)[O-])/C=C\3/N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)C
Structure:
CAS RN: 76213-48-4
CAS Name: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]-2-butanesulfonate
OPENEYE Name: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
IUPAC Name: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
SYSTEMATIC NAME: 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
MOLECULAR FORMULA: C30H30N2O4SSe
MOLECULAR WEIGHT: 593.5952
SMILES: CC/C(=C\C1=[N+](C2=CC=CC=C2[Se]1)CCC(C)S(=O)(=O)[O-])/C=C\3/N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)C
Structure:
CAS RN: 76166-63-7
CAS Name: (2S)-1-[(2S)-1-oxo-2-(phosphonoamino)propyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-(phosphonoamino)propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-(phosphonoamino)propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-(phosphonoamino)propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C8H15N2O6P
MOLECULAR WEIGHT: 266.188261
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NP(=O)(O)O
Structure:
CAS RN: 75508-31-5
CAS Name: N-[4-[[4-(4-acetamidoanilino)-9,10-dioxo-1-anthracenyl]amino]phenyl]acetamide
OPENEYE Name: N-[4-[[4-(4-acetamidoanilino)-9,10-dioxo-1-anthryl]amino]phenyl]acetamide
IUPAC Name: N-[4-[[4-(4-acetamidoanilino)-9,10-dioxoanthracen-1-yl]amino]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[4-[(4-acetamidophenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]ethanamide
MOLECULAR FORMULA: C30H24N4O4
MOLECULAR WEIGHT: 504.53596
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)NC(=O)C)C(=O)C5=CC=CC=C5C3=O
Structure:
CAS RN: 75491-15-5
CAS Name: (2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminometh
OPENEYE Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5
IUPAC Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)penta
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneami
MOLECULAR FORMULA: C64H105N21O13
MOLECULAR WEIGHT: 1376.6514
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 75198-81-1
CAS Name: sodium 2-methyl-4-[3-[4-(methylsulfonylsulfamoyl)-2-nitroanilino]phenyl]azophenolate
OPENEYE Name: sodium 2-methyl-4-[3-[4-(methylsulfonylsulfamoyl)-2-nitro-anilino]phenyl]azo-phenolate
IUPAC Name: sodium 2-methyl-4-[[3-[4-(methylsulfonylsulfamoyl)-2-nitroanilino]phenyl]diazenyl]phenolate
SYSTEMATIC NAME: sodium 2-methyl-4-[[3-[[4-(methylsulfonylsulfamoyl)-2-nitro-phenyl]amino]phenyl]diazenyl]phenolate
MOLECULAR FORMULA: C20H18N5NaO7S2
MOLECULAR WEIGHT: 527.50599
SMILES: CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NS(=O)(=O)C)[N+](=O)[O-])[O-].[Na+]
Structure:
CAS RN: 75088-32-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30N2O8
MOLECULAR WEIGHT: 474.5036
SMILES: C[C@@H](CO)NC(=O)[C@@H]1CN([C@@H]2CC3=CCC4=CC=CC(=C43)C2=C1)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 68631-10-7
CAS Name: tetrasodium 2-[3-[(2E)-2-[6-[[(6Z)-6-[[3-[[carboxylato(oxo)methyl]amino]phenyl]hydrazinylidene]-5-oxo-7-sulfonato-2-naphthalenyl]amino]-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]anilino]-2-oxoacetate
OPENEYE Name: tetrasodium 2-[3-[(2E)-2-[6-[[(6Z)-6-[[3-[(carboxylatoformyl)amino]phenyl]hydrazono]-5-oxo-7-sulfonato-2-naphthyl]amino]-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]anilino]-2-oxo-acetate
IUPAC Name: tetrasodium 2-[3-[(2E)-2-[6-[[(6Z)-6-[[3-[(carboxylatoformyl)amino]phenyl]hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]anilino]-2-oxoacetate
SYSTEMATIC NAME: tetrasodium 2-[[3-[(2E)-2-[6-[[(6Z)-6-[[3-[(2-oxidanidyl-2-oxidanylidene-ethanoyl)amino]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]phenyl]amino]-2-oxidanylidene-et
MOLECULAR FORMULA: C36H21N7Na4O14S2
MOLECULAR WEIGHT: 931.67952
SMILES: C1=CC(=CC(=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC4=CC5=C(C=C4)C(=O)/C(=N\NC6=CC=CC(=C6)NC(=O)C(=O)[O-])/C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 79798-39-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO2
MOLECULAR WEIGHT: 311.418
SMILES: C1CC(=O)C[C@@]23[C@@H]1[C@@H](CC4=C2C(=CC=C4)O)N(CC3)CC5CC5
Structure:
CAS RN: 145508-78-7
CAS Name: 3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-2,5-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one
OPENEYE Name: 3-[2-(1-benzyl-4-piperidyl)ethyl]-2,5-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one
IUPAC Name: 3-[2-(1-benzylpiperidin-4-yl)ethyl]-2,5-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one
SYSTEMATIC NAME: 3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-2,5-dihydropyrrolo[3,2-f][1,2]benzoxazol-6-one
MOLECULAR FORMULA: C23H25N3O2
MOLECULAR WEIGHT: 375.4635
SMILES: C1CN(CCC1CCC2=C3C=C4CC(=O)N=C4C=C3ON2)CC5=CC=CC=C5
Structure:
CAS RN: 71786-66-8
CAS Name: N-[5-[[(E)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]amino]-9,10-dioxo-1-anthracenyl]benzamide
OPENEYE Name: N-[5-[[(E)-(5-cyano-4-methyl-2,6-dioxo-3-pyridylidene)methyl]amino]-9,10-dioxo-1-anthryl]benzamide
IUPAC Name: N-[5-[[(E)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]amino]-9,10-dioxoanthracen-1-yl]benzamide
SYSTEMATIC NAME: N-[5-[[(E)-[5-cyano-4-methyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]methyl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide
MOLECULAR FORMULA: C29H18N4O5
MOLECULAR WEIGHT: 502.47702
SMILES: CC\1=C(C(=O)NC(=O)/C1=C/NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC=CC=C5)C#N
Structure:
CAS RN: 71786-65-7
CAS Name: (5Z)-5-[[(9,10-dioxo-1-anthracenyl)amino]methylidene]-4-methyl-2,6-dioxo-3-pyridinecarbonitrile
OPENEYE Name: (5Z)-5-[[(9,10-dioxo-1-anthryl)amino]methylene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile
IUPAC Name: (5Z)-5-[[(9,10-dioxoanthracen-1-yl)amino]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
SYSTEMATIC NAME: (5Z)-5-[[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]methylidene]-4-methyl-2,6-bis(oxidanylidene)pyridine-3-carbonitrile
MOLECULAR FORMULA: C22H13N3O4
MOLECULAR WEIGHT: 383.35632
SMILES: CC\1=C(C(=O)NC(=O)/C1=C\NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C#N
Structure:
CAS RN: 71662-50-5
CAS Name: sodium; 2-amino-4,6-dinitrophenolate; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-amino-3-methylbenzenesulfonic acid; benzene-1,3-diol; iron; 4-nitroaniline
OPENEYE Name: sodium; 2-amino-4,6-dinitro-phenolate; 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; 4-amino-3-methyl-benzenesulfonic acid; benzene-1,3-diol; iron; 4-nitroaniline
IUPAC Name: sodium; 2-amino-4,6-dinitrophenolate; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-amino-3-methylbenzenesulfonic acid; benzene-1,3-diol; iron; 4-nitroaniline
SYSTEMATIC NAME: sodium; 2-azanyl-4,6-dinitro-phenolate; 4-azanyl-3-methyl-benzenesulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; benzene-1,3-diol; iron; 4-nitroaniline
MOLECULAR FORMULA: C35H34FeN7NaO19S3
MOLECULAR WEIGHT: 1031.70973
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)O)N.C1=CC(=CC(=C1)O)O.C1=CC(=CC=C1N)[N+](=O)[O-].C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].[Na+].[Fe]
Structure:
CAS RN: 71486-83-4
CAS Name: sodium; 2-amino-4,6-dinitrophenolate; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-amino-3-methylbenzenesulfonic acid; benzene-1,3-diol; 4-nitroaniline
OPENEYE Name: sodium; 2-amino-4,6-dinitro-phenolate; 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; 4-amino-3-methyl-benzenesulfonic acid; benzene-1,3-diol; 4-nitroaniline
IUPAC Name: sodium; 2-amino-4,6-dinitrophenolate; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; 4-amino-3-methylbenzenesulfonic acid; benzene-1,3-diol; 4-nitroaniline
SYSTEMATIC NAME: sodium; 2-azanyl-4,6-dinitro-phenolate; 4-azanyl-3-methyl-benzenesulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; benzene-1,3-diol; 4-nitroaniline
MOLECULAR FORMULA: C35H34N7NaO19S3
MOLECULAR WEIGHT: 975.86473
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)O)N.C1=CC(=CC(=C1)O)O.C1=CC(=CC=C1N)[N+](=O)[O-].C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].[Na+]
Structure:
CAS RN: 71412-38-9
CAS Name: 1-amino-5-hydroxy-4-(2-methoxyanilino)-8-nitroanthracene-9,10-dione
OPENEYE Name: 1-amino-5-hydroxy-4-(2-methoxyanilino)-8-nitro-anthracene-9,10-dione
IUPAC Name: 1-amino-5-hydroxy-4-(2-methoxyanilino)-8-nitroanthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-4-[(2-methoxyphenyl)amino]-8-nitro-5-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C21H15N3O6
MOLECULAR WEIGHT: 405.3603
SMILES: COC1=CC=CC=C1NC2=C3C(=C(C=C2)N)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-]
Structure:
CAS RN: 71360-45-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28Cl2N2O3
MOLECULAR WEIGHT: 427.36462
SMILES: CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)N(CCCl)CCCl
Structure:
CAS RN: 71342-90-0
CAS Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; benzene-1,3-diol
OPENEYE Name: 2-(4-aminoanilino)-5-nitro-benzenesulfonic acid; 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid; benzene-1,3-diol
IUPAC Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid; benzene-1,3-diol
SYSTEMATIC NAME: 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid; 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid; benzene-1,3-diol
MOLECULAR FORMULA: C28H26N4O14S3
MOLECULAR WEIGHT: 738.71944
SMILES: C1=CC(=CC(=C1)O)O.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O
Structure:
CAS RN: 70942-27-7
CAS Name: 3-[5-bromo-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
OPENEYE Name: 3-[5-bromo-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
IUPAC Name: 3-[5-bromo-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
SYSTEMATIC NAME: 3-[5-bromanyl-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
MOLECULAR FORMULA: C26H28BrIN2O2S2
MOLECULAR WEIGHT: 671.45119
SMILES: CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Br)CCC(=O)O)/C=C\3/N(C4=C(S3)C=C(C(=C4)C)C)CC.[I-]
Structure:
CAS RN: 85650-49-3
CAS Name: 3-[5-bromo-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
OPENEYE Name: 3-[5-bromo-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
IUPAC Name: 3-[5-bromo-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
SYSTEMATIC NAME: 3-[5-bromanyl-2-[(E)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
MOLECULAR FORMULA: C26H28BrIN2O2S2
MOLECULAR WEIGHT: 671.45119
SMILES: CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Br)CCC(=O)O)/C=C\3/N(C4=C(S3)C=C(C(=C4)C)C)CC.[I-]
Structure:
CAS RN: 70865-35-9
CAS Name: trisodium 5-amino-8-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]azoanilino]-9,10-dioxoanthracene-1,6-disulfonate
OPENEYE Name: trisodium 5-amino-8-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]azoanilino]-9,10-dioxo-anthracene-1,6-disulfonate
IUPAC Name: trisodium 5-amino-8-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]anilino]-9,10-dioxoanthracene-1,6-disulfonate
SYSTEMATIC NAME: trisodium 5-azanyl-8-[[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonate
MOLECULAR FORMULA: C29H15Cl2N8Na3O11S3
MOLECULAR WEIGHT: 887.54671
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N=NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
Structure:
CAS RN: 70865-34-8
CAS Name: trisodium 8-amino-5-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]azoanilino]-9,10-dioxoanthracene-1,7-disulfonate
OPENEYE Name: trisodium 8-amino-5-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]azoanilino]-9,10-dioxo-anthracene-1,7-disulfonate
IUPAC Name: trisodium 8-amino-5-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]anilino]-9,10-dioxoanthracene-1,7-disulfonate
SYSTEMATIC NAME: trisodium 8-azanyl-5-[[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-1,7-disulfonate
MOLECULAR FORMULA: C29H15Cl2N8Na3O11S3
MOLECULAR WEIGHT: 887.54671
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C(=CC(=C3N)S(=O)(=O)[O-])NC4=CC=C(C=C4)N=NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 70815-10-0
CAS Name: disodium 5-[[4-[[(4-chlorophenyl)-oxomethyl]amino]-2-sulfonatophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium 5-[2-[4-[(4-chlorobenzoyl)amino]-2-sulfonato-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium 5-[2-[4-[(4-chlorobenzoyl)amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 6-azanylidene-5-[2-[4-[(4-chlorophenyl)carbonylamino]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C23H15ClN4Na2O8S2
MOLECULAR WEIGHT: 620.94974
SMILES: C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)[O-])C=CC3=N)S(=O)(=O)[O-])Cl.[Na+].[Na+]
Structure:
CAS RN: 70393-50-9
CAS Name: (2Z,4S,5R)-N-[4-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]butyl]-N-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl]-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-4-oxazolidinecarboxamide
OPENEYE Name: (2Z,4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-oxazolidine-4-carboxamide
IUPAC Name: (2Z,4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: (2Z,4S,5R)-N-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]-N-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl]-5-methyl-2-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxamide
MOLECULAR FORMULA: C32H36N4O10
MOLECULAR WEIGHT: 636.64904
SMILES: C[C@@H]1[C@H](N/C(=C/2\C=CC=C(C2=O)O)/O1)C(=O)N(CCCCNC(=O)C3=C(C(=CC=C3)O)O)CCCNC(=O)C4=C(C(=CC=C4)O)O
Structure:
CAS RN: 12225-77-3
CAS Name: pentasodium 7-[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-2-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]azonaphthalene-1,3,6-trisulfonate
OPENEYE Name: pentasodium 7-[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2-sulfonato-anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate
IUPAC Name: pentasodium 7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: pentasodium 7-[[2-(aminocarbonylamino)-4-[[4-[[5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C40H23ClN11Na5O18S5
MOLECULAR WEIGHT: 1256.40037
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC(=C(C=C6)N=NC7=C(C=C8C=C(C=C(C8=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Cl)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 39378-73-9
CAS Name: pentasodium 7-[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-2-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]azonaphthalene-1,3,6-trisulfonate
OPENEYE Name: pentasodium 7-[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2-sulfonato-anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate
IUPAC Name: pentasodium 7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: pentasodium 7-[[2-(aminocarbonylamino)-4-[[4-[[5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C40H23ClN11Na5O18S5
MOLECULAR WEIGHT: 1256.40037
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC(=C(C=C6)N=NC7=C(C=C8C=C(C=C(C8=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Cl)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
No comments:
Post a Comment