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Substance Name: Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, compd. with pyridine (1:1)
RN: 28413-71-0
InChIKey: IFHDIENXXOVAQV-UHFFFAOYSA-N

Molecular Formula

  • C37-H36-N2-O8-S2.C5-H5-N

Molecular Weight

  • 779.9309
 
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Names and Synonyms

Synonym

  • Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with pyridine (1:1)

Systematic Names

  • Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, compd. with pyridine (1:1)
  • Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, compd. with pyridine (1:1)

Registry Numbers

CAS Registry Number

  • 28413-71-0

Other Registry Number

  • 95356-29-9

System Generated Number

  • 0028413710

Molecular Formulas

Molecular Formula

  • C37-H36-N2-O8-S2.C5-H5-N

Molecular Formula Fragments

  • C37-H36-N2-O8-S2
  • C5-H5-N
  • COMPONENT

Structure Descriptors

InChI

1S/C37H36N2O8S2.C5H5N/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;1-2-4-6-5-3-1/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);1-5H

InChIKey

IFHDIENXXOVAQV-UHFFFAOYSA-N

Smiles

CC/C(=C/c1[n+](c2cc(ccc2o1)c3ccccc3)CCCS(=O)(=O)[O-])/C=C/4\N(c5cc(ccc5O4)c6ccccc6)CCCS(=O)(=O)[O-].c1cc[nH+]cc1