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

Systemtic Name: undecyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: undecyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid undecyl ester IUPAC Name: undecyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid undecyl ester Formula: C29H56O3 MolecularWeight: 452.75314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C29H56O3/c1-3-5-7-9-10-13-16-19-23-27-32-29(31)26-22-18-15-12-11-14-17-21-25-28(30)24-20-8-6-4-2/h17,21,28,30H,3-16,18-20,22-27H2,1-2H3/b21-17+