2-[1-[(E)-octadec-9-enoxy]-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[1-[(E)-octadec-9-enoxy]-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[1-methyl-2-[(E)-octadec-9-enoxy]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[1-[(E)-octadec-9-enoxy]-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-[1-[(E)-octadec-9-enoxy]-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-1-methyl-2-[(E)-octadec-9-enoxy]ethyl]thio]propionic acid Formula: C24H44O4S MolecularWeight: 428.66876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(C)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)C(C)SC(C)C(=O)O

InChI

InChI=1S/C24H44O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-24(27)22(3)29-21(2)23(25)26/h11-12,21-22H,4-10,13-20H2,1-3H3,(H,25,26)/b12-11+