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Reference substances

Reference substances

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IUPAC name:
alkylan-1-aminium dialkyl phosphate

Inventory

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

Molecular and structural information

Molecular formula:
H3NO4P(CnH2n+1)3
Molecular weight:
> 788 - < 873
SMILES notation:
generic smiles :[O-]P(=O)(O[*])O[*], * CnH2n+1, C16/C18 lin.
design arbitrary with R1 = R2 = C18, R3 = C16
[NH3+]CCCCCCCCCCCCCCCCCC.[O-]P(=O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChl:
design arbitrary with R1 = R2 = C18, R3 = C16
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/C34H71O4P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-39(35,36)37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,35,36)/p-1
Structural formula:
Chemical structure

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