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Substance Name: Cyanin
RN: 2611-67-8
UNII: UTH12733J3
InChIKey: QDVZZZBBPRFPDG-DHJOXOLYSA-N

Molecular Formula

  • C27-H31-O16.Cl

Molecular Weight

  • 646.979
 
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Names and Synonyms

Results Name

  • Cyanin

Name of Substance

  • Cyanin

Synonyms

  • Cyanin
  • EINECS 220-034-1
  • NSC 81163
  • UNII-UTH12733J3

Systematic Name

  • 2-(3,4-Dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium chloride

Registry Numbers

CAS Registry Number

  • 2611-67-8

FDA UNII

  • UTH12733J3

System Generated Number

  • 0002611678

Molecular Formulas

Molecular Formula

  • C27-H31-O16.Cl

Molecular Formula Fragments

  • C27-H31-O16
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

InChIKey

QDVZZZBBPRFPDG-DHJOXOLYSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)c1cc(c(cc1)O)O.[ClH-]