methyl (E,2S)-2-acetyloxyoctadec-3-enoate

Systemtic Name: methyl (E,2S)-2-acetyloxyoctadec-3-enoate Openeye Name: methyl (E,2S)-2-acetoxyoctadec-3-enoate CAS Name: (E,2S)-2-acetyloxy-3-octadecenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-acetyloxyoctadec-3-enoate Traditional Name: (E,2S)-2-acetoxyoctadec-3-enoic acid methyl ester Formula: C21H38O4 MolecularWeight: 354.52402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(C(=O)OC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/[C@@H](C(=O)OC)OC(=O)C

InChI

InChI=1S/C21H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21(23)24-3)25-19(2)22/h17-18,20H,4-16H2,1-3H3/b18-17+/t20-/m0/s1