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2-pentylundecyl 7-methyloctanoate

2-pentylundecyl 7-methyloctanoate

Systemtic Name:2-pentylundecyl 7-methyloctanoate
Openeye Name:2-pentylundecyl 7-methyloctanoate
CAS Name:7-methyloctanoic acid 2-pentylundecyl ester
IUPAC Name:2-pentylundecyl 7-methyloctanoate
Traditional Name:7-methylcaprylic acid 2-amylundecyl ester
Formula: C25H50O2
MolecularWeight: 382.6633
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCC)COC(=O)CCCCCC(C)C


Isomeric SMILES

CCCCCCCCCC(CCCCC)COC(=O)CCCCCC(C)C


InChI

InChI=1S/C25H50O2/c1-5-7-9-10-11-12-16-20-24(19-14-8-6-2)22-27-25(26)21-17-13-15-18-23(3)4/h23-24H,5-22H2,1-4H3


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