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Substance Name: Chromate(1-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-N-(1-methylethyl)benzenesulfonamidato(2-))(4-hydroxy-3-((2-hydroxy-1-naphthalenyl)azo)-N-(1-methylethyl)benzenesulfonamidato(2-))-, hydrogen, compd. with 2-propanamine (1:1)
RN: 81361-04-8
InChIKey: WCUQXZXHULHIFD-XJQIYIKESA-L

Molecular Formula

  • C38-H36-Cr-N8-O8-S2.C3-H9-N.H

Molecular Weight

  • 908.9974
 
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Names and Synonyms

Synonym

  • EINECS 279-745-0

Systematic Name

  • Chromate(1-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-N-(1-methylethyl)benzenesulfonamidato(2-))(4-hydroxy-3-((2-hydroxy-1-naphthalenyl)azo)-N-(1-methylethyl)benzenesulfonamidato(2-))-, hydrogen, compd. with 2-propanamine (1:1)

Registry Numbers

CAS Registry Number

  • 81361-04-8

System Generated Number

  • 0081361048

Molecular Formulas

Molecular Formula

  • C38-H36-Cr-N8-O8-S2.C3-H9-N.H

Molecular Formula Fragments

  • C3-H9-N
  • C38-H36-Cr-N8-O8-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C19H20N5O4S.C19H19N3O4S.C3H9N.Cr/c1-12(2)23-29(27,28)15-9-10-17(25)16(11-15)20-21-18-13(3)22-24(19(18)26)14-7-5-4-6-8-14;1-12(2)22-27(25,26)14-8-10-17(23)16(11-14)20-21-19-15-6-4-3-5-13(15)7-9-18(19)24;1-3(2)4;/h4-12,23,25H,1-3H3;3-12,22-24H,1-2H3;3H,4H2,1-2H3;/q;;;+2/p-2/b2*21-20+;;

InChIKey

WCUQXZXHULHIFD-XJQIYIKESA-L

Smiles

[H+].CC1=NN(C(=O)C12N=Nc3cc(ccc3O[Cr-]24Oc5ccc(cc5/N=N/c6c7ccccc7ccc6O4)S(=O)(=O)NC(C)C)S(=O)(=O)NC(C)C)c8ccccc8.CC(C)N