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Reference substances

Reference substances

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IUPAC name:
alkyl (C16/C18 lin)-1-aminium alkyl (C16/C18 lin) hydrogen phosphate

Inventory

Synonyms
Names:
Identifier:
IUPAC name
octadecan-1-aminium octadecyl hydrogen phosphate

Molecular and structural information

Molecular formula:
H4NO4P.(CnH2n+1)2
Molecular weight:
> 563 - <= 620
SMILES notation:
general : [*][NH3+].[O-]P(=O)(O)O[*], * CnH2n+1
design arbitrary with C1 = C2 = C18H37
[NH3+]CCCCCCCCCCCCCCCCCC.[O-]P(=O)(O)OCCCCCCCCCCCCCCCCCC
InChl:
design arbitrary with C1 = C2 = C18H37
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3/p+1
InChI=1S/C18H39O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)/p-1
Structural formula:
Chemical structure

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