2-[4-[(3-methylphenyl)methylsulfonyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-methylphenyl)methylsulfonyl]phenyl]ethanoic acid Openeye Name: 2-[4-(m-tolylmethylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-[(3-methylphenyl)methylsulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3-methylphenyl)methylsulfonyl]phenyl]acetic acid Traditional Name: 2-[4-(3-methylbenzyl)sulfonylphenyl]acetic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

InChI

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