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

Systemtic Name: tridecyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: tridecyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid tridecyl ester IUPAC Name: tridecyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid tridecyl ester Formula: C31H60O3 MolecularWeight: 480.8063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-15-18-21-25-29-34-31(33)28-24-20-17-14-13-16-19-23-27-30(32)26-22-8-6-4-2/h19,23,30,32H,3-18,20-22,24-29H2,1-2H3/b23-19+