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tridecan-2-yl octanoate

tridecan-2-yl octanoate

Systemtic Name:tridecan-2-yl octanoate
Openeye Name:1-methyldodecyl octanoate
CAS Name:octanoic acid tridecan-2-yl ester
IUPAC Name:tridecan-2-yl octanoate
Traditional Name:caprylic acid 1-methyldodecyl ester
Formula: C21H42O2
MolecularWeight: 326.55698
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)OC(=O)CCCCCCC


Isomeric SMILES

CCCCCCCCCCCC(C)OC(=O)CCCCCCC


InChI

InChI=1S/C21H42O2/c1-4-6-8-10-11-12-13-15-16-18-20(3)23-21(22)19-17-14-9-7-5-2/h20H,4-19H2,1-3H3


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