2-[2,3-bis(2-sulfophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonic acid

Systemtic Name: 2-[2,3-bis(2-sulfophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonic acid Openeye Name: 2-[2,3-bis(2-sulfophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonic acid CAS Name: 2-[2,3-bis(2-sulfophenyl)-1-cyclohexa-1,3-dienyl]benzenesulfonic acid IUPAC Name: 2-[2,3-bis(2-sulfophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonic acid Traditional Name: 2-[2,3-bis(2-sulfophenyl)cyclohexa-1,3-dien-1-yl]besylic acid Formula: C24H20O9S3 MolecularWeight: 548.6052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O)C4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

C1CC(=C(C(=C1)C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O)C4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C24H20O9S3/c25-34(26,27)21-13-4-1-8-16(21)18-11-7-12-19(17-9-2-5-14-22(17)35(28,29)30)24(18)20-10-3-6-15-23(20)36(31,32)33/h1-6,8-11,13-15H,7,12H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)