3-pentylsulfanylcarbonyloxirane-2-carboxylic acid

Systemtic Name: 3-pentylsulfanylcarbonyloxirane-2-carboxylic acid Openeye Name: 3-pentylsulfanylcarbonyloxirane-2-carboxylic acid CAS Name: 3-[oxo-(pentylthio)methyl]-2-oxiranecarboxylic acid IUPAC Name: 3-pentylsulfanylcarbonyloxirane-2-carboxylic acid Traditional Name: 3-(amylthio)carbonyloxirane-2-carboxylic acid Formula: C9H14O4S MolecularWeight: 218.27006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=O)C1C(O1)C(=O)O

Isomeric SMILES

CCCCCSC(=O)C1C(O1)C(=O)O

InChI

InChI=1S/C9H14O4S/c1-2-3-4-5-14-9(12)7-6(13-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)