3-[[4-(3-carboxyphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]amino]sulfonylbenzoic acid

Systemtic Name: 3-[[4-(3-carboxyphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]amino]sulfonylbenzoic acid Openeye Name: 3-[[4-(3-carboxyphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]amino]sulfonylbenzoic acid CAS Name: 3-[[4-(3-carboxyphenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]amino]sulfonylbenzoic acid IUPAC Name: 3-[[4-(3-carboxyphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]amino]sulfonylbenzoic acid Traditional Name: 3-[[4-(3-carboxyphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]amino]sulfonylbenzoic acid Formula: C20H14N2O8S2 MolecularWeight: 474.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N=C2C=CC(=NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N=C2C=CC(=NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C=C2)C(=O)O

InChI

InChI=1S/C20H14N2O8S2/c23-19(24)13-3-1-5-17(11-13)31(27,28)21-15-7-9-16(10-8-15)22-32(29,30)18-6-2-4-14(12-18)20(25)26/h1-12H,(H,23,24)(H,25,26)