2-sulfanylpropylsulfanyl (E)-octadec-9-enoate

Systemtic Name: 2-sulfanylpropylsulfanyl (E)-octadec-9-enoate Openeye Name: 2-sulfanylpropylsulfanyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-mercaptopropylthio) ester IUPAC Name: 2-sulfanylpropylsulfanyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (2-mercaptopropylthio) ester Formula: C21H40O2S2 MolecularWeight: 388.6711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OSCC(C)S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OSCC(C)S

InChI

InChI=1S/C21H40O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)23-25-19-20(2)24/h10-11,20,24H,3-9,12-19H2,1-2H3/b11-10+