2-(4-methylsulfonylphenyl)ethanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)ethanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)acetic acid CAS Name: 2-(4-methylsulfonylphenyl)acetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)acetic acid Traditional Name: 2-(4-mesylphenyl)acetic acid Formula: C9H10O4S MolecularWeight: 216.230842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[14CH2]C(=O)O

InChI

InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/i6+2