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

Systemtic Name: heptyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: heptyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid heptyl ester IUPAC Name: heptyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid heptyl ester Formula: C25H48O3 MolecularWeight: 396.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C25H48O3/c1-3-5-7-15-19-23-28-25(27)22-18-14-12-10-9-11-13-17-21-24(26)20-16-8-6-4-2/h13,17,24,26H,3-12,14-16,18-23H2,1-2H3/b17-13+