2-[5-methoxy-2-(4-methylsulfonylphenyl)phenyl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-(4-methylsulfonylphenyl)phenyl]ethanoic acid Openeye Name: 2-[5-methoxy-2-(4-methylsulfonylphenyl)phenyl]acetic acid CAS Name: 2-[5-methoxy-2-(4-methylsulfonylphenyl)phenyl]acetic acid IUPAC Name: 2-[5-methoxy-2-(4-methylsulfonylphenyl)phenyl]acetic acid Traditional Name: 2-[2-(4-mesylphenyl)-5-methoxy-phenyl]acetic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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