ethanoyl (E)-2-hexadecyl-12-oxidanyl-octadec-9-enoate

Systemtic Name: ethanoyl (E)-2-hexadecyl-12-oxidanyl-octadec-9-enoate Openeye Name: acetyl (E)-2-hexadecyl-12-hydroxy-octadec-9-enoate CAS Name: (E)-2-hexadecyl-12-hydroxy-9-octadecenoic acid acetyl ester IUPAC Name: acetyl (E)-2-hexadecyl-12-hydroxyoctadec-9-enoate Traditional Name: (E)-2-cetyl-12-hydroxy-octadec-9-enoic acid acetyl ester Formula: C36H68O4 MolecularWeight: 564.92272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCC/C=C/CC(CCCCCC)O)C(=O)OC(=O)C

InChI

InChI=1S/C36H68O4/c1-4-6-8-10-11-12-13-14-15-16-17-19-22-25-29-34(36(39)40-33(3)37)30-26-23-20-18-21-24-28-32-35(38)31-27-9-7-5-2/h24,28,34-35,38H,4-23,25-27,29-32H2,1-3H3/b28-24+