2-ethyl-5-methylsulfonyl-4-phenoxy-benzoic acid

Systemtic Name: 2-ethyl-5-methylsulfonyl-4-phenoxy-benzoic acid Openeye Name: 2-ethyl-5-methylsulfonyl-4-phenoxy-benzoic acid CAS Name: 2-ethyl-5-methylsulfonyl-4-phenoxybenzoic acid IUPAC Name: 2-ethyl-5-methylsulfonyl-4-phenoxybenzoic acid Traditional Name: 2-ethyl-5-mesyl-4-phenoxy-benzoic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O5S/c1-3-11-9-14(21-12-7-5-4-6-8-12)15(22(2,19)20)10-13(11)16(17)18/h4-10H,3H2,1-2H3,(H,17,18)