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16-methylheptadecyl docosanoate

16-methylheptadecyl docosanoate

Systemtic Name:16-methylheptadecyl docosanoate
Openeye Name:16-methylheptadecyl docosanoate
CAS Name:docosanoic acid 16-methylheptadecyl ester
IUPAC Name:16-methylheptadecyl docosanoate
Traditional Name:behenic acid 16-methylheptadecyl ester
Formula: C40H80O2
MolecularWeight: 593.062
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C


InChI

InChI=1S/C40H80O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(41)42-38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39(2)3/h39H,4-38H2,1-3H3


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