dimethyl 4-[[5-methoxy-4-[(2Z)-2-(3-methoxysulfonyl-1-oxidanylidene-6-phenylazanyl-naphthalen-2-ylidene)hydrazinyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: dimethyl 4-[[5-methoxy-4-[(2Z)-2-(3-methoxysulfonyl-1-oxidanylidene-6-phenylazanyl-naphthalen-2-ylidene)hydrazinyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: dimethyl 4-[4-[(2Z)-2-(6-anilino-3-methoxysulfonyl-1-oxo-2-naphthylidene)hydrazino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: 4-[4-[(2Z)-2-(6-anilino-3-methoxysulfonyl-1-oxo-2-naphthalenylidene)hydrazinyl]-5-methoxy-2-methylphenyl]azo-5-hydroxynaphthalene-2,7-disulfonic acid dimethyl ester IUPAC Name: dimethyl 4-[[4-[(2Z)-2-(6-anilino-3-methoxysulfonyl-1-oxonaphthalen-2-ylidene)hydrazinyl]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: 4-[4-[(N'Z)-N'-(6-anilino-1-keto-3-methoxysulfonyl-2-naphthylidene)hydrazino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonic acid dimethyl ester Formula: C37H33N5O12S3 MolecularWeight: 835.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)OC)C=C(C=C3O)S(=O)(=O)OC)OC)NN=C4C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)OC)C=C(C=C3O)S(=O)(=O)OC)OC)N/N=C/4\C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)S(=O)(=O)OC

InChI

InChI=1S/C37H33N5O12S3/c1-21-13-30(40-42-36-34(57(49,50)54-5)17-22-14-25(11-12-28(22)37(36)44)38-24-9-7-6-8-10-24)33(51-2)20-29(21)39-41-31-18-26(55(45,46)52-3)15-23-16-27(56(47,48)53-4)19-32(43)35(23)31/h6-20,38,40,43H,1-5H3/b41-39?,42-36+