4-methylsulfonyl-3-phenylmethoxy-butanoic acid

Systemtic Name: 4-methylsulfonyl-3-phenylmethoxy-butanoic acid Openeye Name: 3-benzyloxy-4-methylsulfonyl-butanoic acid CAS Name: 4-methylsulfonyl-3-phenylmethoxybutanoic acid IUPAC Name: 4-methylsulfonyl-3-phenylmethoxybutanoic acid Traditional Name: 3-benzoxy-4-mesyl-butyric acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(CC(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC(CC(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H16O5S/c1-18(15,16)9-11(7-12(13)14)17-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)