methyl 3-[(E)-octadec-9-enyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-octadec-9-enyl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-octadec-9-enyl]sulfanylpropanoate CAS Name: 3-[[(E)-octadec-9-enyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-octadec-9-enyl]sulfanylpropanoate Traditional Name: 3-[[(E)-octadec-9-enyl]thio]propionic acid methyl ester Formula: C22H42O2S MolecularWeight: 370.63268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCSCCC(=O)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCSCCC(=O)OC

InChI

InChI=1S/C22H42O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-21-19-22(23)24-2/h10-11H,3-9,12-21H2,1-2H3/b11-10+