methyl (9Z,12Z)-13-butylsulfanyltrideca-9,12-dienoate

Systemtic Name: methyl (9Z,12Z)-13-butylsulfanyltrideca-9,12-dienoate Openeye Name: methyl (9Z,12Z)-13-butylsulfanyltrideca-9,12-dienoate CAS Name: (9Z,12Z)-13-(butylthio)trideca-9,12-dienoic acid methyl ester IUPAC Name: methyl (9Z,12Z)-13-butylsulfanyltrideca-9,12-dienoate Traditional Name: (9Z,12Z)-13-(butylthio)trideca-9,12-dienoic acid methyl ester Formula: C18H32O2S MolecularWeight: 312.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=CCC=CCCCCCCCC(=O)OC

Isomeric SMILES

CCCCS/C=C\C/C=C\CCCCCCCC(=O)OC

InChI

InChI=1S/C18H32O2S/c1-3-4-16-21-17-14-12-10-8-6-5-7-9-11-13-15-18(19)20-2/h8,10,14,17H,3-7,9,11-13,15-16H2,1-2H3/b10-8-,17-14-