(E)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanylhexadec-3-enoic acid

Systemtic Name: (E)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanylhexadec-3-enoic acid Openeye Name: (E)-2-(3-methoxy-3-oxo-propyl)sulfanylhexadec-3-enoic acid CAS Name: (E)-2-[(3-methoxy-3-oxopropyl)thio]-3-hexadecenoic acid IUPAC Name: (E)-2-(3-methoxy-3-oxopropyl)sulfanylhexadec-3-enoic acid Traditional Name: (E)-2-[(3-keto-3-methoxy-propyl)thio]hexadec-3-enoic acid Formula: C20H36O4S MolecularWeight: 372.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(=O)O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(=O)O)SCCC(=O)OC

InChI

InChI=1S/C20H36O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20(22)23)25-17-16-19(21)24-2/h14-15,18H,3-13,16-17H2,1-2H3,(H,22,23)/b15-14+