8-methylnonyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 8-methylnonyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 8-methylnonyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 8-methylnonyl ester IUPAC Name: 8-methylnonyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 8-methylnonyl ester Formula: C28H54O3 MolecularWeight: 438.72656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCCCCCCC(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCCCCCCC(C)C)O

InChI

InChI=1S/C28H54O3/c1-4-5-6-17-22-27(29)23-18-13-9-7-8-10-14-19-24-28(30)31-25-20-15-11-12-16-21-26(2)3/h13,18,26-27,29H,4-12,14-17,19-25H2,1-3H3/b18-13+