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Substance Name: 1-Amino-4-(3-(((3,6-dichloropyridazin-4-yl)carbonyl)amino)-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
RN: 67846-54-2
InChIKey: WPNCZPHIKSFVSG-UHFFFAOYSA-N

Molecular Formula

  • C28-H21-Cl2-N5-O9-S2

Molecular Weight

  • 706.538
 
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Names and Synonyms

Synonym

  • EINECS 267-367-9

Systematic Names

  • 1-Amino-4-(3-(((3,6-dichloropyridazin-4-yl)carbonyl)amino)-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-

Registry Numbers

CAS Registry Number

  • 67846-54-2

System Generated Number

  • 0067846542

Structure Descriptors

InChI

1S/C28H21Cl2N5O9S2/c1-10-22(11(2)26(46(42,43)44)12(3)23(10)33-28(38)15-8-18(29)34-35-27(15)30)32-16-9-17(45(39,40)41)21(31)20-19(16)24(36)13-6-4-5-7-14(13)25(20)37/h4-9,32H,31H2,1-3H3,(H,33,38)(H,39,40,41)(H,42,43,44)

InChIKey

WPNCZPHIKSFVSG-UHFFFAOYSA-N

Smiles

O=C(Nc1c(c(Nc2c3c(C(=O)c4c(cccc4)C3=O)c(N)c(S(=O)(=O)O)c2)c(c(S(=O)(=O)O)c1C)C)C)c1cc(nnc1Cl)Cl