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

Systemtic Name: 3-(4-ethoxyphenyl)-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-(4-ethoxyphenyl)-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-(4-ethoxyphenyl)-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-(4-ethoxyphenyl)-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 4-mesyl-2-methyl-3-p-phenetyl-benzoic acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C=CC(=C2C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C=CC(=C2C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C17H18O5S/c1-4-22-13-7-5-12(6-8-13)16-11(2)14(17(18)19)9-10-15(16)23(3,20)21/h5-10H,4H2,1-3H3,(H,18,19)