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Substance Name: Tris(9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) bis(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonato(3-))chromate(3-)
RN: 93964-93-3
InChIKey: DQZITEMHSSLCPO-WDKGLNGNSA-M

Molecular Formula

  • C32-H20-Cr-N10-O14-S2.3C28-H31-N2-O3

Molecular Weight

  • 2215.3857
 
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Names and Synonyms

Synonym

  • EINECS 300-942-5

Systematic Name

  • Tris(9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) bis(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonato(3-))chromate(3-)

Registry Numbers

CAS Registry Number

  • 93964-93-3

System Generated Number

  • 0093964933

Molecular Formulas

Molecular Formula

  • C32-H20-Cr-N10-O14-S2.3C28-H31-N2-O3

Molecular Formula Fragments

  • C28-H31-N2-O3
  • C32-H20-Cr-N10-O14-S2
  • COMPONENT

Structure Descriptors

InChI

1S/3C28H30N2O3.2C16H12N5O7S.Cr/c3*1-5-29(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;2*1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h3*9-18H,5-8H2,1-4H3;2*2-8,22H,1H3,(H,26,27,28);/q;;;2*-1;+3/p-1/b;;;2*18-17+;

InChIKey

DQZITEMHSSLCPO-WDKGLNGNSA-M

Smiles

CCN(c1cc2oc-3cc(=[N+](CC)CC)ccc3c(c2cc1)c4c(cccc4)C(=O)O)CC.CCN(c1cc2oc-3cc(=[N+](CC)CC)ccc3c(c2cc1)c4c(cccc4)C(=O)O)CC.CCN(c1cc2oc-3cc(=[N+](CC)CC)ccc3c(c2cc1)c4c(cccc4)C(=O)O)CC.Cc1nn(c(=O)[c-]1/N=N/c2c(ccc(c2)[N+](=O)[O-])[O-])c3ccc(cc3)S(=O)(=O)[O-].Cc1nn(c(=O)[c-]1/N=N/c2c(ccc(c2)[N+](=O)[O-])[O-])c3ccc(cc3)S(=O)(=O)[O-].[Cr+3]