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

Systemtic Name: 3-[[4-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]benzoic acid Openeye Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]-1-naphthyl]azo]benzoic acid CAS Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]-1-naphthalenyl]azo]benzoic acid IUPAC Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]benzoic acid Traditional Name: 3-[[4-[(N'Z)-N'-(7-amino-1-keto-3-sulfo-2-naphthylidene)hydrazino]-1-naphthyl]azo]benzoic acid Formula: C27H19N5O6S MolecularWeight: 541.53466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=CC(=C3)C(=O)O)NN=C4C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=CC(=C3)C(=O)O)N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O

InChI

InChI=1S/C27H19N5O6S/c28-17-9-8-15-13-24(39(36,37)38)25(26(33)21(15)14-17)32-31-23-11-10-22(19-6-1-2-7-20(19)23)30-29-18-5-3-4-16(12-18)27(34)35/h1-14,31H,28H2,(H,34,35)(H,36,37,38)/b30-29?,32-25+