4-Hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide
CAS Registry Number®
81005-34-7
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CAS Name
4-Hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxideMolecular Formula
C36H62N5O11PCite this Page
4-Hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81005-34-7 (retrieved ) (CAS RN: 81005-34-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H62N5O11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-21-33(42)48-28-30(29-50-53(46,47)49-27-26-41(2,3)4)51-34(43)22-19-17-20-25-37-31-23-24-32(40(44)45)36-35(31)38-52-39-36/h23-24,30H,5-22,25-29H2,1-4H3,(H-,37,39,46,47)
InChIKey
InChIKey=RIWWBDCNFJKLCV-UHFFFAOYSA-N
SMILES
N(CCCCCC(OC(COP(OCC[N+](C)(C)C)(=O)[O-])COC(CCCCCCCCCCCCCCC)=O)=O)C=1C=2C(C(N(=O)=O)=CC1)=NON2
Canonical SMILES
O=C(OCC(OC(=O)CCCCCNC1=CC=C(C2=NON=C21)N(=O)=O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
Other Names for this Substance
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-10-oxo-, inner salt, 4-oxide
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-4-benzofurazanyl)amino]-1-oxohexyl]oxy]-10-oxo-, inner salt, 4-oxide
- 2,1,3-Benzoxadiazole, 3,5,9-trioxa-4-phosphapentacosan-1-aminium deriv.
- 4-Hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide
Deleted or Replaced CAS Registry Numbers
181954-94-9
