2-(3-methylsulfonyloxy-1-phenyl-propyl)oxirane-2-carboxylic acid

Systemtic Name: 2-(3-methylsulfonyloxy-1-phenyl-propyl)oxirane-2-carboxylic acid Openeye Name: 2-(3-methylsulfonyloxy-1-phenyl-propyl)oxirane-2-carboxylic acid CAS Name: 2-(3-methylsulfonyloxy-1-phenylpropyl)-2-oxiranecarboxylic acid IUPAC Name: 2-(3-methylsulfonyloxy-1-phenylpropyl)oxirane-2-carboxylic acid Traditional Name: 2-(3-methylsulfonyloxy-1-phenyl-propyl)oxirane-2-carboxylic acid Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(C1=CC=CC=C1)C2(CO2)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCC(C1=CC=CC=C1)C2(CO2)C(=O)O

InChI

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