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

Systemtic Name: 2-[(4-methylphenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-(p-tolylmethylsulfonyl)acetic acid CAS Name: 2-[(4-methylphenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(4-methylphenyl)methylsulfonyl]acetic acid Traditional Name: 2-(4-methylbenzyl)sulfonylacetic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S/c1-8-2-4-9(5-3-8)6-15(13,14)7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)