4-[2-methyl-1-(phenylcarbonyloxy)propan-2-yl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[2-methyl-1-(phenylcarbonyloxy)propan-2-yl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-(2-benzoyloxy-1,1-dimethyl-ethyl)sulfonyl-3-phenyl-butanoic acid CAS Name: 4-(1-benzoyloxy-2-methylpropan-2-yl)sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-(1-benzoyloxy-2-methylpropan-2-yl)sulfonyl-3-phenylbutanoic acid Traditional Name: 4-(2-benzoyloxy-1,1-dimethyl-ethyl)sulfonyl-3-phenyl-butyric acid Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=CC=C1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(COC(=O)C1=CC=CC=C1)S(=O)(=O)CC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H24O6S/c1-21(2,15-27-20(24)17-11-7-4-8-12-17)28(25,26)14-18(13-19(22)23)16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3,(H,22,23)