2-methyl-3-(4-methylphenyl)sulfonyl-4-phenyl-butanoic acid

Systemtic Name: 2-methyl-3-(4-methylphenyl)sulfonyl-4-phenyl-butanoic acid Openeye Name: 2-methyl-4-phenyl-3-(p-tolylsulfonyl)butanoic acid CAS Name: 2-methyl-3-(4-methylphenyl)sulfonyl-4-phenylbutanoic acid IUPAC Name: 2-methyl-3-(4-methylphenyl)sulfonyl-4-phenylbutanoic acid Traditional Name: 2-methyl-4-phenyl-3-tosyl-butyric acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)C(C)C(=O)O

InChI

InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)17(14(2)18(19)20)12-15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3,(H,19,20)