3,5,5-trimethylhexyl octadecanoate

Systemtic Name: 3,5,5-trimethylhexyl octadecanoate Openeye Name: 3,5,5-trimethylhexyl octadecanoate CAS Name: octadecanoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl octadecanoate Traditional Name: stearic acid 3,5,5-trimethylhexyl ester Formula: C27H54O2 MolecularWeight: 410.71646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC(C)CC(C)(C)C

InChI

InChI=1S/C27H54O2/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/h25H,6-24H2,1-5H3