2,3,4-tris(2-sulfophenyl)cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 2,3,4-tris(2-sulfophenyl)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 2,3,4-tris(2-sulfophenyl)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 2,3,4-tris(2-sulfophenyl)-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 2,3,4-tris(2-sulfophenyl)cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 2,3,4-tris(2-sulfophenyl)cyclohexa-1,3-diene-1-carboxylic acid Formula: C25H20O11S3 MolecularWeight: 592.6147

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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)