3-methyl-2-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid

Systemtic Name: 3-methyl-2-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Openeye Name: 3-methyl-2-[3-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-methyl-2-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid IUPAC Name: 3-methyl-2-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Traditional Name: 3-methyl-2-(3-tosyloxyphenyl)butyric acid Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C(C)C)C(=O)O

InChI

InChI=1S/C18H20O5S/c1-12(2)17(18(19)20)14-5-4-6-15(11-14)23-24(21,22)16-9-7-13(3)8-10-16/h4-12,17H,1-3H3,(H,19,20)