3-methoxy-4-[(3-methylphenyl)methylsulfonyl]benzoic acid

Systemtic Name: 3-methoxy-4-[(3-methylphenyl)methylsulfonyl]benzoic acid Openeye Name: 3-methoxy-4-(m-tolylmethylsulfonyl)benzoic acid CAS Name: 3-methoxy-4-[(3-methylphenyl)methylsulfonyl]benzoic acid IUPAC Name: 3-methoxy-4-[(3-methylphenyl)methylsulfonyl]benzoic acid Traditional Name: 3-methoxy-4-(3-methylbenzyl)sulfonyl-benzoic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O5S/c1-11-4-3-5-12(8-11)10-22(19,20)15-7-6-13(16(17)18)9-14(15)21-2/h3-9H,10H2,1-2H3,(H,17,18)