Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

CAS Registry Number®

92771-38-5

CAS Name

Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Molecular Formula

C27H30Cl2N2O8S2.C6H15N

Cite this Page

Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=92771-38-5 (retrieved 2024-11-05) (CAS RN: 92771-38-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30Cl2N2O8S2.C6H15N/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;1-4-7(5-2)6-3/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3

InChIKey

InChIKey=WBEYWDOEKGGXFF-UHFFFAOYSA-N

SMILES

C(CCCS(=O)(=O)O)N1C=2C(OC1=CC(=CC3=[N+](CCCCS(=O)(=O)[O-])C=4C(O3)=CC=C(Cl)C4)CC)=CC=C(Cl)C2.N(CC)(CC)CC

Canonical SMILES

O=S(=O)([O-])CCCC[N+]1=C(OC=2C=CC(Cl)=CC21)C=C(C=C3OC4=CC=C(Cl)C=C4N3CCCCS(=O)(=O)O)CC.N(CC)(CC)CC

Other Names for this Substance

  • Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Ethanamine, N,N-diethyl-, compd. with 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)benzoxazolium hydroxide inner salt (1:1)

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles