3-octylsulfanylcarbonyloxirane-2-carboxylic acid

Systemtic Name: 3-octylsulfanylcarbonyloxirane-2-carboxylic acid Openeye Name: 3-octylsulfanylcarbonyloxirane-2-carboxylic acid CAS Name: 3-[(octylthio)-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-octylsulfanylcarbonyloxirane-2-carboxylic acid Traditional Name: 3-(octylthio)carbonyloxirane-2-carboxylic acid Formula: C12H20O4S MolecularWeight: 260.3498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C1C(O1)C(=O)O

Isomeric SMILES

CCCCCCCCSC(=O)C1C(O1)C(=O)O

InChI

InChI=1S/C12H20O4S/c1-2-3-4-5-6-7-8-17-12(15)10-9(16-10)11(13)14/h9-10H,2-8H2,1H3,(H,13,14)