5-azanyl-2-[(2E)-2-[1-oxidanylidene-3-sulfo-7-[(4-sulfophenyl)amino]naphthalen-2-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 5-azanyl-2-[(2E)-2-[1-oxidanylidene-3-sulfo-7-[(4-sulfophenyl)amino]naphthalen-2-ylidene]hydrazinyl]benzoic acid Openeye Name: 5-amino-2-[(2E)-2-[1-oxo-3-sulfo-7-(4-sulfoanilino)-2-naphthylidene]hydrazino]benzoic acid CAS Name: 5-amino-2-[(2E)-2-[1-oxo-3-sulfo-7-(4-sulfoanilino)-2-naphthalenylidene]hydrazinyl]benzoic acid IUPAC Name: 5-amino-2-[(2E)-2-[1-oxo-3-sulfo-7-(4-sulfoanilino)naphthalen-2-ylidene]hydrazinyl]benzoic acid Traditional Name: 5-amino-2-[(N'E)-N'-[1-keto-3-sulfo-7-(4-sulfoanilino)-2-naphthylidene]hydrazino]benzoic acid Formula: C23H18N4O9S2 MolecularWeight: 558.54042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC3=C(C=C2)C=C(C(=NNC4=C(C=C(C=C4)N)C(=O)O)C3=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CC3=C(C=C2)C=C(/C(=N/NC4=C(C=C(C=C4)N)C(=O)O)/C3=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C23H18N4O9S2/c24-13-2-8-19(18(10-13)23(29)30)26-27-21-20(38(34,35)36)9-12-1-3-15(11-17(12)22(21)28)25-14-4-6-16(7-5-14)37(31,32)33/h1-11,25-26H,24H2,(H,29,30)(H,31,32,33)(H,34,35,36)/b27-21-