2-[4-carboxy-2,3-bis(2-sulfonatophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonate

Systemtic Name: 2-[4-carboxy-2,3-bis(2-sulfonatophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonate Openeye Name: 2-[4-carboxy-2,3-bis(2-sulfonatophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonate CAS Name: 2-[4-carboxy-2,3-bis(2-sulfonatophenyl)-1-cyclohexa-1,3-dienyl]benzenesulfonate IUPAC Name: 2-[4-carboxy-2,3-bis(2-sulfonatophenyl)cyclohexa-1,3-dien-1-yl]benzenesulfonate Traditional Name: 2-[4-carboxy-2,3-bis(2-sulfonatophenyl)cyclohexa-1,3-dien-1-yl]besylate Formula: C25H17O11S3-3 MolecularWeight: 589.59088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1C2=CC=CC=C2S(=O)(=O)[O-])C3=CC=CC=C3S(=O)(=O)[O-])C4=CC=CC=C4S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

C1CC(=C(C(=C1C2=CC=CC=C2S(=O)(=O)[O-])C3=CC=CC=C3S(=O)(=O)[O-])C4=CC=CC=C4S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C25H20O11S3/c26-25(27)19-14-13-16(15-7-1-4-10-20(15)37(28,29)30)23(17-8-2-5-11-21(17)38(31,32)33)24(19)18-9-3-6-12-22(18)39(34,35)36/h1-12H,13-14H2,(H,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-3