4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-3-(2-phenylpropan-2-yl)benzoic acid

Systemtic Name: 4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-3-(2-phenylpropan-2-yl)benzoic acid Openeye Name: 2-hydroxy-3-(1-methyl-1-phenyl-ethyl)-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]-3-(2-phenylpropan-2-yl)benzoic acid IUPAC Name: 2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]-3-(2-phenylpropan-2-yl)benzoic acid Traditional Name: 3-cumyl-2-hydroxy-4-(2-tosylethoxy)benzoic acid Formula: C25H26O6S MolecularWeight: 454.53534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C(=C(C=C2)C(=O)O)O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C(=C(C=C2)C(=O)O)O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C25H26O6S/c1-17-9-11-19(12-10-17)32(29,30)16-15-31-21-14-13-20(24(27)28)23(26)22(21)25(2,3)18-7-5-4-6-8-18/h4-14,26H,15-16H2,1-3H3,(H,27,28)