4-[2-[3-[1-(4-methylphenyl)sulfonyl-2-phenoxy-ethoxy]phenyl]propan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[3-[1-(4-methylphenyl)sulfonyl-2-phenoxy-ethoxy]phenyl]propan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[1-methyl-1-[3-[2-phenoxy-1-(p-tolylsulfonyl)ethoxy]phenyl]ethyl]benzoic acid CAS Name: 2-hydroxy-4-[2-[3-[1-(4-methylphenyl)sulfonyl-2-phenoxyethoxy]phenyl]propan-2-yl]benzoic acid IUPAC Name: 2-hydroxy-4-[2-[3-[1-(4-methylphenyl)sulfonyl-2-phenoxyethoxy]phenyl]propan-2-yl]benzoic acid Traditional Name: 2-hydroxy-4-[1-methyl-1-[3-(2-phenoxy-1-tosyl-ethoxy)phenyl]ethyl]benzoic acid Formula: C31H30O7S MolecularWeight: 546.6307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(COC2=CC=CC=C2)OC3=CC=CC(=C3)C(C)(C)C4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(COC2=CC=CC=C2)OC3=CC=CC(=C3)C(C)(C)C4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C31H30O7S/c1-21-12-15-26(16-13-21)39(35,36)29(20-37-24-9-5-4-6-10-24)38-25-11-7-8-22(18-25)31(2,3)23-14-17-27(30(33)34)28(32)19-23/h4-19,29,32H,20H2,1-3H3,(H,33,34)