ethyl 4-[(E)-1-oxidanylidenehexadec-3-en-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[(E)-1-oxidanylidenehexadec-3-en-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[(E)-1-formylpentadec-2-enyl]sulfanylbutanoate CAS Name: 4-[[(E)-1-oxohexadec-3-en-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-oxohexadec-3-en-2-yl]sulfanylbutanoate Traditional Name: 4-[[(E)-1-formylpentadec-2-enyl]thio]butyric acid ethyl ester Formula: C22H40O3S MolecularWeight: 384.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C=O)SCCCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C=O)SCCCC(=O)OCC

InChI

InChI=1S/C22H40O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21(20-23)26-19-16-18-22(24)25-4-2/h15,17,20-21H,3-14,16,18-19H2,1-2H3/b17-15+