6-methylheptyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 6-methylheptyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 6-methylheptyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 6-methylheptyl ester Formula: C26H50O3 MolecularWeight: 410.6734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50O3/c1-4-5-6-15-20-25(27)21-16-11-9-7-8-10-12-17-22-26(28)29-23-18-13-14-19-24(2)3/h11,16,24-25,27H,4-10,12-15,17-23H2,1-3H3/b16-11+