3,5,5-trimethylhexyl (Z)-octadec-9-enoate

Systemtic Name: 3,5,5-trimethylhexyl (Z)-octadec-9-enoate Openeye Name: 3,5,5-trimethylhexyl (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid 3,5,5-trimethylhexyl ester Formula: C27H52O2 MolecularWeight: 408.70058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCC(C)CC(C)(C)C

InChI

InChI=1S/C27H52O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)29-23-22-25(2)24-27(3,4)5/h13-14,25H,6-12,15-24H2,1-5H3/b14-13-