3,7-dimethyloct-6-enyl (E)-octadec-9-enoate

Systemtic Name: 3,7-dimethyloct-6-enyl (E)-octadec-9-enoate Openeye Name: 3,7-dimethyloct-6-enyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 3,7-dimethyloct-6-enyl ester IUPAC Name: 3,7-dimethyloct-6-enyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 3,7-dimethyloct-6-enyl ester Formula: C28H52O2 MolecularWeight: 420.71128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCC(C)CCC=C(C)C

InChI

InChI=1S/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h12-13,21,27H,5-11,14-20,22-25H2,1-4H3/b13-12+