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heptan-2-yl octadecanoate

heptan-2-yl octadecanoate

Systemtic Name:heptan-2-yl octadecanoate
Openeye Name:1-methylhexyl octadecanoate
CAS Name:octadecanoic acid heptan-2-yl ester
IUPAC Name:heptan-2-yl octadecanoate
Traditional Name:stearic acid 1-methylhexyl ester
Formula: C25H50O2
MolecularWeight: 382.6633
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCC


InChI

InChI=1S/C25H50O2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24(3)22-20-7-5-2/h24H,4-23H2,1-3H3


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