3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R,18Z)-

CAS Registry Number®

79645-38-8

CAS Name

3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R,18Z)-

Molecular Formula

C42H84NO7P

Cite this Page

3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R,18Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79645-38-8 (retrieved 2025-02-19) (CAS RN: 79645-38-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/b21-20-/t41-/m1/s1

InChIKey

InChIKey=IQLHTKSHLGLPMG-HFWGUVFESA-N

SMILES

[C@@H](COP(OCC[N+](C)(C)C)(=O)[O-])(OC(CCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC

Canonical SMILES

O=C(OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC

Other Names for this Substance

  • 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R,18Z)-
  • 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, [R-(Z)]-

CAS INSIGHTSTM
Lithium-ion battery