4-methoxy-3-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 3-benzylsulfonyl-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 3-benzylsulfonyl-4-methoxybenzoic acid Traditional Name: 3-benzylsulfonyl-4-methoxy-benzoic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H14O5S/c1-20-13-8-7-12(15(16)17)9-14(13)21(18,19)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)