3-[(2Z)-2-(8-azanyl-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 3-[(2Z)-2-(8-azanyl-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid Openeye Name: 3-[(2Z)-2-(8-amino-1-oxo-3,6-disulfo-2-naphthylidene)hydrazino]benzoic acid CAS Name: 3-[(2Z)-2-(8-amino-1-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 3-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]benzoic acid Traditional Name: 3-[(N'Z)-N'-(8-amino-1-keto-3,6-disulfo-2-naphthylidene)hydrazino]benzoic acid Formula: C17H13N3O9S2 MolecularWeight: 467.42982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C17H13N3O9S2/c18-12-7-11(30(24,25)26)5-9-6-13(31(27,28)29)15(16(21)14(9)12)20-19-10-3-1-2-8(4-10)17(22)23/h1-7,19H,18H2,(H,22,23)(H,24,25,26)(H,27,28,29)/b20-15+