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

CAS Registry Number®

39201-42-8
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CAS Name

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

Molecular Formula

C25H26Cl2N2O8S2.C6H15N

Cite this Page

Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, 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=39201-42-8 (retrieved 2024-08-12) (CAS RN: 39201-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H26Cl2N2O8S2.C6H15N/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25;1-4-7(5-2)6-3/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35);4-6H2,1-3H3

InChIKey

InChIKey=ULHAYPWCIHCPHI-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)O)N1C=2C(OC1=CC(=CC3=[N+](CCCS(=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-])CCC[N+]1=C(OC=2C=CC(Cl)=CC21)C=C(C=C3OC4=CC=C(Cl)C=C4N3CCCS(=O)(=O)O)CC.N(CC)(CC)CC

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

116084-01-6, 143118-05-2