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

Systemtic Name: 2-(1-octoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoic acid Openeye Name: 2-(1-methyl-2-octoxy-2-oxo-ethyl)sulfanylpropanoic acid CAS Name: 2-[(1-octoxy-1-oxopropan-2-yl)thio]propanoic acid IUPAC Name: 2-(1-octoxy-1-oxopropan-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(2-keto-1-methyl-2-octoxy-ethyl)thio]propionic acid Formula: C14H26O4S MolecularWeight: 290.41884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C(C)SC(C)C(=O)O

InChI

InChI=1S/C14H26O4S/c1-4-5-6-7-8-9-10-18-14(17)12(3)19-11(2)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)