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Substance Name: Calcichrome
RN: 27372-98-1
InChIKey: XODFCIZRPIKHCL-NLZHFEITSA-H

Molecular Weight

  • 1399.07
 
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Names and Synonyms

Results Name

  • Calcichrome

Synonyms

  • Calcichrome
  • Calcion
  • Calcion IREA

Systematic Name

  • (1,1'-Binaphthalene)-3,3',6,6'-tetrasulfonic acid, 8,8'-dihydroxy-7,7'-bis((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-,hexasodium salt

Registry Numbers

CAS Registry Number

  • 27372-98-1

System Generated Number

  • 0027372981

Structure Descriptors

InChI

1S/C40H26N4O28S8.6Na/c45-29-13-23(77(61,62)63)3-15-1-21(75(55,56)57)11-27(35(15)29)41-43-37-31(79(67,68)69)7-17-5-19(73(49,50)51)9-25(33(17)39(37)47)26-10-20(74(52,53)54)6-18-8-32(80(70,71)72)38(40(48)34(18)26)44-42-28-12-22(76(58,59)60)2-16-4-24(78(64,65)66)14-30(46)36(16)28;;;;;;/h1-14,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;;;/q;6*+1/p-6/b43-41+,44-42+;;;;;;

InChIKey

XODFCIZRPIKHCL-NLZHFEITSA-H

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1(cc(cc2cc(c(c(c12)O)\N=N\c1cc(cc2cc(cc(c12)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])c1cc(cc2cc(c(c(c12)O)\N=N\c1cc(cc2cc(cc(c12)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]