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Substance Name: Benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-, inner salt
RN: 76213-48-4
InChIKey: QDAWKUJXWZSGKT-UHFFFAOYSA-N

Molecular Formula

  • C30-H30-N2-O4-S-Se

Molecular Weight

  • 593.603
 
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Names and Synonyms

Synonym

  • EINECS 278-389-3

Systematic Names

  • 3-Methyl-5-phenyl-2-(2-((3-(3-sulphonatobutyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)benzoxazolium
  • Benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-, inner salt
  • Benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 76213-48-4

Other Registry Number

  • 29637-20-5

System Generated Number

  • 0076213484

Structure Descriptors

InChI

1S/C30H30N2O4SSe/c1-4-22(18-29-31(3)26-20-24(14-15-27(26)36-29)23-10-6-5-7-11-23)19-30-32(17-16-21(2)37(33,34)35)25-12-8-9-13-28(25)38-30/h5-15,18-21H,4,16-17H2,1-3H3

InChIKey

QDAWKUJXWZSGKT-UHFFFAOYSA-N

Smiles

o1c([n+](c2c1ccc(c2)c1ccccc1)C)\C=C(\CC)\C=C1/[Se]c2c(N1CC[C@@H](C)S(=O)(=O)[O-])cccc2