4-[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-6-(4-sulfophenyl)pyran-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-6-(4-sulfophenyl)pyran-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-sulfophenyl)pyran-2-yl]benzenesulfonic acid CAS Name: 4-[4-(4-oxo-1-cyclohexa-2,5-dienylidene)-6-(4-sulfophenyl)-2-pyranyl]benzenesulfonic acid IUPAC Name: 4-[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-sulfophenyl)pyran-2-yl]benzenesulfonic acid Traditional Name: 4-[4-(4-ketocyclohexa-2,5-dien-1-ylidene)-6-(4-sulfophenyl)pyran-2-yl]besylic acid Formula: C23H16O8S2 MolecularWeight: 484.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C=C(OC(=C2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2C=C(OC(=C2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C23H16O8S2/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(10-4-16)32(25,26)27)31-23(14-18)17-5-11-21(12-6-17)33(28,29)30/h1-14H,(H,25,26,27)(H,28,29,30)