2-methyl-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfonyl-propanoic acid

Systemtic Name: 2-methyl-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfonyl-propanoic acid Openeye Name: 3-(2-benzyloxy-2-oxo-ethyl)sulfonyl-2-methyl-propanoic acid CAS Name: 2-methyl-3-(2-oxo-2-phenylmethoxyethyl)sulfonylpropanoic acid IUPAC Name: 2-methyl-3-(2-oxo-2-phenylmethoxyethyl)sulfonylpropanoic acid Traditional Name: 3-(2-benzoxy-2-keto-ethyl)sulfonyl-2-methyl-propionic acid Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6S/c1-10(13(15)16)8-20(17,18)9-12(14)19-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,16)