2-[5-methyl-2,4-bis(phenylsulfonyl)phenyl]benzoic acid

Systemtic Name: 2-[5-methyl-2,4-bis(phenylsulfonyl)phenyl]benzoic acid Openeye Name: 2-[2,4-bis(benzenesulfonyl)-5-methyl-phenyl]benzoic acid CAS Name: 2-[2,4-bis(benzenesulfonyl)-5-methylphenyl]benzoic acid IUPAC Name: 2-[2,4-bis(benzenesulfonyl)-5-methylphenyl]benzoic acid Traditional Name: 2-(2,4-dibesyl-5-methyl-phenyl)benzoic acid Formula: C26H20O6S2 MolecularWeight: 492.5634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20O6S2/c1-18-16-23(21-14-8-9-15-22(21)26(27)28)25(34(31,32)20-12-6-3-7-13-20)17-24(18)33(29,30)19-10-4-2-5-11-19/h2-17H,1H3,(H,27,28)