(4Z)-7-[(4-aminophenyl)carbonylamino]-4-[[2,5-dimethoxy-4-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4Z)-7-[(4-aminophenyl)carbonylamino]-4-[[2,5-dimethoxy-4-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4Z)-7-[(4-aminobenzoyl)amino]-4-[[2,5-dimethoxy-4-[[7-sulfo-4-(3-sulfophenyl)azo-1-naphthyl]azo]phenyl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4Z)-7-[[(4-aminophenyl)-oxomethyl]amino]-4-[[2,5-dimethoxy-4-[[7-sulfo-4-(3-sulfophenyl)azo-1-naphthalenyl]azo]phenyl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4Z)-7-[(4-aminobenzoyl)amino]-4-[[2,5-dimethoxy-4-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4Z)-7-[(4-aminobenzoyl)amino]-4-[[2,5-dimethoxy-4-[[7-sulfo-4-(3-sulfophenyl)azo-1-naphthyl]azo]phenyl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C41H32N8O13S3 MolecularWeight: 940.93358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)OC)NN=C5C6=C(C=C(C=C6)NC(=O)C7=CC=C(C=C7)N)C(=CC5=O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)OC)N/N=C\5/C6=C(C=C(C=C6)NC(=O)C7=CC=C(C=C7)N)C(=CC5=O)S(=O)(=O)O

InChI

InChI=1S/C41H32N8O13S3/c1-61-37-20-35(48-49-40-29-12-10-24(43-41(51)22-6-8-23(42)9-7-22)17-31(29)39(21-36(40)50)65(58,59)60)38(62-2)19-34(37)47-46-33-15-14-32(28-13-11-27(18-30(28)33)64(55,56)57)45-44-25-4-3-5-26(16-25)63(52,53)54/h3-21,48H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b45-44?,47-46?,49-40-