methyl (E)-12-pentylsulfanyldodec-9-enoate

Systemtic Name: methyl (E)-12-pentylsulfanyldodec-9-enoate Openeye Name: methyl (E)-12-pentylsulfanyldodec-9-enoate CAS Name: (E)-12-(pentylthio)-9-dodecenoic acid methyl ester IUPAC Name: methyl (E)-12-pentylsulfanyldodec-9-enoate Traditional Name: (E)-12-(amylthio)dodec-9-enoic acid methyl ester Formula: C18H34O2S MolecularWeight: 314.52636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC=CCCCCCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2S/c1-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20-2/h9,11H,3-8,10,12-17H2,1-2H3/b11-9+