pentadecyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: pentadecyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: pentadecyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid pentadecyl ester IUPAC Name: pentadecyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid pentadecyl ester Formula: C33H64O3 MolecularWeight: 508.85946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CC(CCCCCC)O

InChI

InChI=1S/C33H64O3/c1-3-5-7-9-10-11-12-13-14-17-20-23-27-31-36-33(35)30-26-22-19-16-15-18-21-25-29-32(34)28-24-8-6-4-2/h21,25,32,34H,3-20,22-24,26-31H2,1-2H3/b25-21+