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Substance Name: Chromate(1-), (2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))(N-(8-((5-(ethylsulfonyl)-2-hydroxyphenyl)azo)-7-hydroxy-1-naphthalenyl)methanesulfonamidato(2-))-, hydrogen, compd. with 2-aminoethanol (1:1)
RN: 83949-53-5
InChIKey: RSFSAYBVEQWLRE-XYCNHQHUSA-L

Molecular Formula

  • C36-H29-Cr-N7-O9-S2.C2-H7-N-O.H

Molecular Weight

  • 881.8843
 
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Names and Synonyms

Synonym

  • EINECS 281-413-5

Systematic Name

  • Chromate(1-), (2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))(N-(8-((5-(ethylsulfonyl)-2-hydroxyphenyl)azo)-7-hydroxy-1-naphthalenyl)methanesulfonamidato(2-))-, hydrogen, compd. with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 83949-53-5

System Generated Number

  • 0083949535

Molecular Formulas

Molecular Formula

  • C36-H29-Cr-N7-O9-S2.C2-H7-N-O.H

Molecular Formula Fragments

  • C2-H7-N-O
  • C36-H29-Cr-N7-O9-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C19H19N3O6S2.C17H13N4O3.C2H7NO.Cr/c1-3-30(27,28)13-8-10-16(23)15(11-13)20-21-19-17(24)9-7-12-5-4-6-14(18(12)19)22-29(2,25)26;1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;3-1-2-4;/h4-11,22-24H,3H2,1-2H3;2-10H,1H3,(H,23,24);4H,1-3H2;/q;;;+2/p-2/b21-20+;19-18+;;

InChIKey

RSFSAYBVEQWLRE-XYCNHQHUSA-L

Smiles

[H+].CCS(=O)(=O)c1ccc2c(c1)/N=N/c3c(ccc4c3c(ccc4)NS(=O)(=O)C)O[Cr-]5(O2)C6(C(=NN(C6=O)c7ccccc7)C)/N=N/c8ccccc8C(=O)O5.C(CO)N