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Substance Name: 7,7'-(Carbonylbis(imino(1-methyl-1H-pyrazole-3,5-diyl)carbonylimino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino)}dinaphthalene-1,3-disulfonic acid
RN: 168287-12-5
InChIKey: GCGPRGWDXASILB-UHFFFAOYSA-N

Molecular Formula

  • C43-H38-N12-O17-S4

Molecular Weight

  • 1123.1042
 
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Names and Synonyms

  • 7,7'-(Carbonylbis(imino(1-methyl-1H-pyrazole-3,5-diyl)carbonylimino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino)}dinaphthalene-1,3-disulfonic acid

Registry Numbers

CAS Registry Number

  • 168287-12-5

System Generated Number

  • 0168287125

Structure Descriptors

InChI

1S/C43H38N12O17S4/c1-52-19-25(13-31(52)39(56)44-23-7-5-21-9-27(73(61,62)63)15-35(29(21)11-23)75(67,68)69)46-41(58)33-17-37(50-54(33)3)48-43(60)49-38-18-34(55(4)51-38)42(59)47-26-14-32(53(2)20-26)40(57)45-24-8-6-22-10-28(74(64,65)66)16-36(30(22)12-24)76(70,71)72/h5-20H,1-4H3,(H,44,56)(H,45,57)(H,46,58)(H,47,59)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,48,49,50,51,60)

InChIKey

GCGPRGWDXASILB-UHFFFAOYSA-N

Smiles

Cn1cc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(cc(c6c5)S(=O)(=O)O)S(=O)(=O)O)n(C)c4)n(C)n3)nn2C)cc1C(=O)Nc7ccc8cc(cc(c8c7)S(=O)(=O)O)S(=O)(=O)O