3-[[4-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-6-sulfo-naphthalen-1-yl]diazenyl]benzoic acid

Systemtic Name: 3-[[4-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]-6-sulfo-naphthalen-1-yl]diazenyl]benzoic acid Openeye Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]-6-sulfo-1-naphthyl]azo]benzoic acid CAS Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]-6-sulfo-1-naphthalenyl]azo]benzoic acid IUPAC Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid Traditional Name: 3-[[4-[(N'Z)-N'-(7-amino-1-keto-3-sulfo-2-naphthylidene)hydrazino]-6-sulfo-1-naphthyl]azo]benzoic acid Formula: C27H19N5O9S2 MolecularWeight: 621.59786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=NC2=C3C=CC(=CC3=C(C=C2)NN=C4C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C27H19N5O9S2/c28-16-5-4-14-11-24(43(39,40)41)25(26(33)20(14)12-16)32-31-23-9-8-22(19-7-6-18(13-21(19)23)42(36,37)38)30-29-17-3-1-2-15(10-17)27(34)35/h1-13,31H,28H2,(H,34,35)(H,36,37,38)(H,39,40,41)/b30-29?,32-25+