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Substance Name: Bis(choline)-N-(4-nitrobenzo-2-oxa-1,3-diazol-7-yl)imino dipropionate
RN: 93775-36-1
InChIKey: KRJRQSSATNTKPR-UHFFFAOYSA-L

Molecular Weight

  • 656.369
 
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Names and Synonyms

Name of Substance

  • Bis(choline)-N-(4-nitrobenzo-2-oxa-1,3-diazol-7-yl)imino dipropionate

Synonyms

  • 1-Bcni
  • Bcnbdi

Systematic Name

  • 5,13-Dioxa-9-aza-2-azoniapentadecan-15-aminium, N,N,N,2,2-pentamethyl-9-(7-nitro-4-benzofurazanyl)-6,12-dioxo-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 93775-36-1

System Generated Number

  • 0093775361

Structure Descriptors

InChI

1S/C22H36N6O7.2BrH/c1-27(2,3)13-15-33-19(29)9-11-25(12-10-20(30)34-16-14-28(4,5)6)17-7-8-18(26(31)32)22-21(17)23-35-24-22;;/h7-8H,9-16H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

KRJRQSSATNTKPR-UHFFFAOYSA-L

Smiles

c1cc([N+]([O-])=O)c2nonc2c1N(CCC(OCC[N+](C)(C)C)=O)CCC(OCC[N+](C)(C)C)=O.[BrH-].[BrH-]