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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-phenyl-butanoic acid Openeye Name: 4-phenyl-3-(p-tolylsulfonyl)butanoic acid CAS Name: 3-(4-methylphenyl)sulfonyl-4-phenylbutanoic acid IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-phenylbutanoic acid Traditional Name: 4-phenyl-3-tosyl-butyric acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S/c1-13-7-9-15(10-8-13)22(20,21)16(12-17(18)19)11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,18,19)