methyl 3-[(E)-1-oxidanylidenehexadec-3-en-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-1-oxidanylidenehexadec-3-en-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-1-formylpentadec-2-enyl]sulfanylpropanoate CAS Name: 3-[[(E)-1-oxohexadec-3-en-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-1-oxohexadec-3-en-2-yl]sulfanylpropanoate Traditional Name: 3-[[(E)-1-formylpentadec-2-enyl]thio]propionic acid methyl ester Formula: C20H36O3S MolecularWeight: 356.56304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(18-21)24-17-16-20(22)23-2/h14-15,18-19H,3-13,16-17H2,1-2H3/b15-14+