2-ethyl-4-(4-methylphenoxy)-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-ethyl-4-(4-methylphenoxy)-5-methylsulfonyl-benzoic acid Openeye Name: 2-ethyl-4-(4-methylphenoxy)-5-methylsulfonyl-benzoic acid CAS Name: 2-ethyl-4-(4-methylphenoxy)-5-methylsulfonylbenzoic acid IUPAC Name: 2-ethyl-4-(4-methylphenoxy)-5-methylsulfonylbenzoic acid Traditional Name: 2-ethyl-5-mesyl-4-(4-methylphenoxy)benzoic acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)C

InChI

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