4-[3-(4-methylphenyl)sulfonyl-2-phenyl-propoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-(4-methylphenyl)sulfonyl-2-phenyl-propoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[2-phenyl-3-(p-tolylsulfonyl)propoxy]benzoic acid CAS Name: 2-hydroxy-4-[3-(4-methylphenyl)sulfonyl-2-phenylpropoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[3-(4-methylphenyl)sulfonyl-2-phenylpropoxy]benzoic acid Traditional Name: 2-hydroxy-4-(2-phenyl-3-tosyl-propoxy)benzoic acid Formula: C23H22O6S MolecularWeight: 426.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC(=C(C=C2)C(=O)O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC(=C(C=C2)C(=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H22O6S/c1-16-7-10-20(11-8-16)30(27,28)15-18(17-5-3-2-4-6-17)14-29-19-9-12-21(23(25)26)22(24)13-19/h2-13,18,24H,14-15H2,1H3,(H,25,26)