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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
Group of constituents (alkyl derivatives) Reaction products of 1H-Imidazole-1-ethanol, 4,5-dihydro-, 2-(C7 odd-numbered alkyl) derivs. and sodium hydroxide and chloroacetic acid

Molecular and structural information

Molecular formula:
For two representative potential C8 structures:
C14H27N2O4Na : 310 g/mol
and
C16H28N2O6Na2 : 390 g/mol
Molecular weight:
>= 310 - <= 390
SMILES notation:
For the 4 representative C8 structures:
C14H27N2O4Na:
CCCCCCCC(=O)NCCN(CCO)CC(=O)O[Na]
CCCCCCCC(=O)N(CCO)CCNCC(=O)O[Na]
C16H28N2O6Na2 :
CCCCCCCC(=O)NCCN(CCOCC(=O)O[Na])CC(=O)O[Na]
CCCCCCCC(=O)N(CCO)CCN(CC(=O)O[Na])CC(=O)O[Na]

But it must be noted that it is a group of constituents with several structures presen, due to alkyl chain distribution (from C8 to C14); with lower and higher molecular weights.
InChl:
Not applicable (generic description of a group of unknown constituents)
Structural formula:
Chemical structure