5-methylhexyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 5-methylhexyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 5-methylhexyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 5-methylhexyl ester IUPAC Name: 5-methylhexyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 5-methylhexyl ester Formula: C25H48O3 MolecularWeight: 396.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCCCC(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCCCC(C)C)O

InChI

InChI=1S/C25H48O3/c1-4-5-6-13-19-24(26)20-14-11-9-7-8-10-12-15-21-25(27)28-22-17-16-18-23(2)3/h11,14,23-24,26H,4-10,12-13,15-22H2,1-3H3/b14-11+