Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt

CAS Registry Number®

67326-80-1

CAS Name

Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt

Molecular Formula

C31H31ClN2O8S2.Na

Cite this Page

Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67326-80-1 (retrieved 2024-11-13) (CAS RN: 67326-80-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H31ClN2O8S2.Na/c1-2-22(19-31-34(15-7-17-44(38,39)40)27-21-25(32)11-13-29(27)42-31)18-30-33(14-6-16-43(35,36)37)26-20-24(10-12-28(26)41-30)23-8-4-3-5-9-23;/h3-5,8-13,18-21H,2,6-7,14-17H2,1H3,(H-,35,36,37,38,39,40);

InChIKey

InChIKey=NZRDMKZTENCIDU-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(C2)C5=CC=CC=C5.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])CCC[N+]1=C(OC=2C=CC(Cl)=CC21)C=C(C=C3OC=4C=CC(=CC4N3CCCS(=O)(=O)O)C=5C=CC=CC5)CC

Other Names for this Substance

  • Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt
  • Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, sodium salt

Deleted or Replaced CAS Registry Numbers

134200-47-8, 93446-54-9, 94533-67-2

CAS INSIGHTSTM
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