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Reference substances

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IUPAC name:
Hexanoic acid, 2-ethyl, C16-18 alkyl esters

Inventory

EC number:
291-445-1
EC name:
Hexanoic acid, 2-ethyl-, C16-18-alkyl esters
CAS number:
90411-68-0
CAS number:
90411-68-0
Synonyms
Names:
Hexanoic acid, 2-ethyl, C16-18 alkyl esters

Molecular and structural information

Molecular formula:
from C24H48O2 to C26H52O2
Molecular weight:
368.6 - <= 396.7
SMILES notation:
Examples for SMILES notation:
CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
and
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
InChl:
Examples for InChl notation:
InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3
and
InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3

Structural formula:
Chemical structure

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