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6-methylheptyl octadecanoate

6-methylheptyl octadecanoate

Systemtic Name:6-methylheptyl octadecanoate
Openeye Name:6-methylheptyl octadecanoate
CAS Name:octadecanoic acid 6-methylheptyl ester
IUPAC Name:6-methylheptyl octadecanoate
Traditional Name:stearic acid 6-methylheptyl ester
Formula: C26H52O2
MolecularWeight: 396.68988
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C


InChI

InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h25H,4-24H2,1-3H3


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