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Substance Name: 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (8-((5-chloro-2-hydroxyphenyl)azo)-7-hydroxynaphthalene-1,3-disulphonato(4-))chromate(1-)
RN: 85392-61-6
InChIKey: XLRMKPNWEYQKQA-ARXNYZRRSA-K

Molecular Formula

  • C28-H31-N2-O3.C16-H7-Cl-Cr-N2-O8-S2

Molecular Weight

  • 950.3822
 
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Names and Synonyms

Synonym

  • EINECS 286-921-0

Systematic Name

  • 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (8-((5-chloro-2-hydroxyphenyl)azo)-7-hydroxynaphthalene-1,3-disulphonato(4-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 85392-61-6

System Generated Number

  • 0085392616

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.C16-H7-Cl-Cr-N2-O8-S2

Molecular Formula Fragments

  • C16-H7-Cl-Cr-N2-O8-S2
  • C28-H31-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H30N2O3.C16H11ClN2O8S2.Cr/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;17-9-2-4-12(20)11(6-9)18-19-16-13(21)3-1-8-5-10(28(22,23)24)7-14(15(8)16)29(25,26)27;/h9-18H,5-8H2,1-4H3;1-7,20-21H,(H,22,23,24)(H,25,26,27);/q;;+3/p-3/b;19-18+;

InChIKey

XLRMKPNWEYQKQA-ARXNYZRRSA-K

Smiles

CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.Clc5ccc6O[Cr-]78Oc9ccc%10cc(cc(c%10c9N=Nc6c5)S(=O)(=O)O7)S(=O)(=O)O8