hexadecyl (2S,6R)-2,6-dimethyloctanoate

Systemtic Name: hexadecyl (2S,6R)-2,6-dimethyloctanoate Openeye Name: hexadecyl (2S,6R)-2,6-dimethyloctanoate CAS Name: (2S,6R)-2,6-dimethyloctanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S,6R)-2,6-dimethyloctanoate Traditional Name: (2S,6R)-2,6-dimethylcaprylic acid cetyl ester Formula: C26H52O2 MolecularWeight: 396.68988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C)CCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@@H](C)CCC[C@H](C)CC

InChI

InChI=1S/C26H52O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-26(27)25(4)22-20-21-24(3)6-2/h24-25H,5-23H2,1-4H3/t24-,25+/m1/s1