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Substance Name: Copper(1+), (5'-(2-(3-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)phenyl)diazenyl)-1'-(3-(dimethylamino)propyl)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridiniumato(2-))-, 2-hydroxypropanoate (1:2)
RN: 79152-56-0
InChIKey: DYLTVAOLPLGTTP-RWNZNJIBSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C32-H31-Cu-N10-O6.C3-H6-O3.C3-H5-O3

Molecular Weight

  • 897.3775
 
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Names and Synonyms

Synonym

  • EINECS 279-098-4

Systematic Names

  • Copper(1+), (5'-((3-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)azo)-1'-(3-(dimethylamino)propyl)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridiniumato(2-))-, salt with 2-hydroxypropanoic acid (1:2)
  • Copper(1+), (5'-(2-(3-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)phenyl)diazenyl)-1'-(3-(dimethylamino)propyl)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridiniumato(2-))-, 2-hydroxypropanoate (1:2)

Registry Numbers

CAS Registry Number

  • 79152-56-0

System Generated Number

  • 0079152560

Molecular Formulas

Molecular Formula

  • C32-H31-Cu-N10-O6.C3-H6-O3.C3-H5-O3

Molecular Formula Fragments

  • C3-H5-O3
  • C3-H6-O3
  • C32-H31-Cu-N10-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C31H31N10O6.2C3H6O3.CH3.Cu/c1-20-27(30(44)39(16-8-13-37(2)3)31(45)28(20)38-14-5-4-6-15-38)36-33-21-9-7-10-22(17-21)40-29(43)25(19-32-40)35-34-24-12-11-23(41(46)47)18-26(24)42;2*1-2(4)3(5)6;;/h4-7,9-12,14,17-19,24,33H,8,13,15-16H2,1-3H3;2*2,4H,1H3,(H,5,6);1H3;/q;;;;+1/p-1/b35-34+,36-27-;;;;

InChIKey

DYLTVAOLPLGTTP-RWNZNJIBSA-M

Smiles

CC\1=C(C(=O)N(C(=O)/C1=N\Nc2cccc(c2)N3C(=O)C(C=N3)(/N=N/C4C=CC(=CC4=O)[N+](=O)[O-])[Cu+]C)CCCN(C)C)N5CC=CC=C5.CC(C(=O)O)O.CC(C(=O)[O-])O