2-(1-hexoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoic acid

Systemtic Name: 2-(1-hexoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoic acid Openeye Name: 2-(2-hexoxy-1-methyl-2-oxo-ethyl)sulfanylpropanoic acid CAS Name: 2-[(1-hexoxy-1-oxopropan-2-yl)thio]propanoic acid IUPAC Name: 2-(1-hexoxy-1-oxopropan-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(2-hexoxy-2-keto-1-methyl-ethyl)thio]propionic acid Formula: C12H22O4S MolecularWeight: 262.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)SC(C)C(=O)O

Isomeric SMILES

CCCCCCOC(=O)C(C)SC(C)C(=O)O

InChI

InChI=1S/C12H22O4S/c1-4-5-6-7-8-16-12(15)10(3)17-9(2)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)