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Reference substance information

IUPAC name:
Phosphoric acid, hexadecyl esters, potassium salts with cetyl alcohol and isostearyl isostearate
Synonyms
Names:
Identifier:
other: chemical name
Reaction mass of mono- and di-hexadecyl phosphate esters, potassium salts and cetyl alcohol and isostearyl isostearate

Molecular and structural information

Molecular formula:
C16H34O4P1K1 (representative: mono- C16 PSE, K+)
C16H34O1 (representative alcohol: C16 alcohol)
C36H72O2 (isostearyl isostearate)
Molecular weight:
ca. 242.45 - ca. 584.95
SMILES notation:
CCCCCCCCCCCCCCCCOP(O)(=O)[O-].[K+] (representative: mono- C16 PSE, K+)
CCCCCCCCCCCCCCCCO C16H34O1 (representative alcohol: C16 alcohol)
CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C (isostearyl isostearate)
InChl:
InChI=1S/C16H35O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;/q;2*+1/p-2 (representative: mono- C16 PSE, K+)
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 (representative alcohol: C16 alcohol)
InChI=1S/C36H72O2/c1-34(2)30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-38-36(37)32-28-24-20-16-12-8-7-11-15-19-23-27-31-35(3)4/h34-35H,5-33H2,1-4H3 (isostearyl isostearate)
Structural formula:
Chemical structure