3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 4-mesyl-3-(4-methoxyphenyl)-2-methyl-benzoic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=C(C=C2)OC)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=C(C=C2)OC)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C16H16O5S/c1-10-13(16(17)18)8-9-14(22(3,19)20)15(10)11-4-6-12(21-2)7-5-11/h4-9H,1-3H3,(H,17,18)