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Substance Name: EINECS 260-256-6
RN: 56548-81-3
InChIKey: GOAZAAHFBGSCRS-WEMJPYEPSA-N

Molecular Formula

  • C56-H40-Cl2-N20-O26-S8

Molecular Weight

  • 1736.48
 
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Names and Synonyms

Results Name

  • EINECS 260-256-6

Synonym

  • EINECS 260-256-6

Systematic Name

  • 3,3'-(1,3-Phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulpho-3,1-phenylene)azo))bis(5-amino-4-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic) acid

Registry Numbers

CAS Registry Number

  • 56548-81-3

System Generated Number

  • 0056548813

Structure Descriptors

InChI

1S/C56H40Cl2N20O26S8/c57-51-65-53(69-55(67-51)63-29-8-14-35(107(87,88)89)33(21-29)73-77-47-39(111(99,100)101)18-23-16-37(109(93,94)95)45(43(59)41(23)49(47)79)75-71-25-4-10-31(11-5-25)105(81,82)83)61-27-2-1-3-28(20-27)62-54-66-52(58)68-56(70-54)64-30-9-15-36(108(90,91)92)34(22-30)74-78-48-40(112(102,103)104)19-24-17-38(110(96,97)98)46(44(60)42(24)50(48)80)76-72-26-6-12-32(13-7-26)106(84,85)86/h1-22,79-80H,59-60H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H2,61,63,65,67,69)(H2,62,64,66,68,70)/b75-71+,76-72+,77-73+,78-74+

InChIKey

GOAZAAHFBGSCRS-WEMJPYEPSA-N

Smiles

Nc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c(cc3cc(c(N=Nc4cc(Nc5nc(Cl)nc(Nc6cccc(Nc7nc(Cl)nc(Nc8ccc(c(c8)N=Nc9c(O)c%10c(N)c(N=Nc%11ccc(cc%11)S(=O)(=O)O)c(cc%10cc9S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)n7)c6)n5)ccc4S(=O)(=O)O)c(O)c13)S(=O)(=O)O)S(=O)(=O)O