4-[(Z)-[3-(carboxymethylsulfanyl)-4-oxidanylidene-naphthalen-1-ylidene]amino]sulfonylbenzoic acid

Systemtic Name: 4-[(Z)-[3-(carboxymethylsulfanyl)-4-oxidanylidene-naphthalen-1-ylidene]amino]sulfonylbenzoic acid Openeye Name: 4-[(Z)-[3-(carboxymethylsulfanyl)-4-oxo-1-naphthylidene]amino]sulfonylbenzoic acid CAS Name: 4-[(Z)-[3-(carboxymethylthio)-4-oxo-1-naphthalenylidene]amino]sulfonylbenzoic acid IUPAC Name: 4-[(Z)-[3-(carboxymethylsulfanyl)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid Traditional Name: 4-[(Z)-[3-(carboxymethylthio)-4-keto-1-naphthylidene]amino]sulfonylbenzoic acid Formula: C19H13NO7S2 MolecularWeight: 431.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C=C(C2=O)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=N\S(=O)(=O)C3=CC=C(C=C3)C(=O)O)/C=C(C2=O)SCC(=O)O

InChI

InChI=1S/C19H13NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9H,10H2,(H,21,22)(H,24,25)/b20-15-