6-oxidanylidene-6-(1-sulfanylpropoxy)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-(1-sulfanylpropoxy)hexanoic acid Openeye Name: 6-oxo-6-(1-sulfanylpropoxy)hexanoic acid CAS Name: 6-(1-mercaptopropoxy)-6-oxohexanoic acid IUPAC Name: 6-oxo-6-(1-sulfanylpropoxy)hexanoic acid Traditional Name: 6-keto-6-(1-mercaptopropoxy)hexanoic acid Formula: C9H16O4S MolecularWeight: 220.28594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)CCCCC(=O)O)S

Isomeric SMILES

CCC(OC(=O)CCCCC(=O)O)S

InChI

InChI=1S/C9H16O4S/c1-2-9(14)13-8(12)6-4-3-5-7(10)11/h9,14H,2-6H2,1H3,(H,10,11)