2-[5-methyl-2-(phenylmethyl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-methyl-2-(phenylmethyl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-(2-benzylsulfonyl-5-methyl-phenyl)acetic acid CAS Name: 2-[5-methyl-2-(phenylmethyl)sulfonylphenyl]acetic acid IUPAC Name: 2-(2-benzylsulfonyl-5-methylphenyl)acetic acid Traditional Name: 2-(2-benzylsulfonyl-5-methyl-phenyl)acetic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4S/c1-12-7-8-15(14(9-12)10-16(17)18)21(19,20)11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,17,18)