3-(phenylmethylsulfanyl)carbonyloxirane-2-carboxylic acid

Systemtic Name: 3-(phenylmethylsulfanyl)carbonyloxirane-2-carboxylic acid Openeye Name: 3-benzylsulfanylcarbonyloxirane-2-carboxylic acid CAS Name: 3-[oxo-(phenylmethylthio)methyl]-2-oxiranecarboxylic acid IUPAC Name: 3-benzylsulfanylcarbonyloxirane-2-carboxylic acid Traditional Name: 3-(benzylthio)carbonyloxirane-2-carboxylic acid Formula: C11H10O4S MolecularWeight: 238.2597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)C2C(O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)C2C(O2)C(=O)O

InChI

InChI=1S/C11H10O4S/c12-10(13)8-9(15-8)11(14)16-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)