methyl (E)-12-acetyloxy-8-methylsulfonyl-heptadec-10-enoate

Systemtic Name: methyl (E)-12-acetyloxy-8-methylsulfonyl-heptadec-10-enoate Openeye Name: methyl (E)-12-acetoxy-8-methylsulfonyl-heptadec-10-enoate CAS Name: (E)-12-acetyloxy-8-methylsulfonyl-10-heptadecenoic acid methyl ester IUPAC Name: methyl (E)-12-acetyloxy-8-methylsulfonylheptadec-10-enoate Traditional Name: (E)-12-acetoxy-8-mesyl-heptadec-10-enoic acid methyl ester Formula: C21H38O6S MolecularWeight: 418.58782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCC(CCCCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

Isomeric SMILES

CCCCCC(/C=C/CC(CCCCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C21H38O6S/c1-5-6-9-13-19(27-18(2)22)14-12-16-20(28(4,24)25)15-10-7-8-11-17-21(23)26-3/h12,14,19-20H,5-11,13,15-17H2,1-4H3/b14-12+