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Substance Name: 5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-2,5-xylyl)azo)naphthalene-1,3,6-trisulphonic acid
RN: 3445-91-8
InChIKey: DPKBPTNQYASJMZ-VJETXLNASA-N

Molecular Formula

  • C31-H24-Cl-N9-O12-S4

Molecular Weight

  • 878.2986
 
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Names and Synonyms

Synonym

  • EINECS 222-363-6

Systematic Name

  • 5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-2,5-xylyl)azo)naphthalene-1,3,6-trisulphonic acid

Registry Numbers

CAS Registry Number

  • 3445-91-8

System Generated Number

  • 0003445918

Structure Descriptors

InChI

1S/C31H24ClN9O12S4/c1-14-10-25(40-41-28-21-12-17(55(45,46)47)13-27(57(51,52)53)19(21)5-8-26(28)56(48,49)50)15(2)9-24(14)39-38-23-7-6-22(34-31-36-29(32)35-30(33)37-31)18-4-3-16(11-20(18)23)54(42,43)44/h3-13H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H3,33,34,35,36,37)/b39-38+,41-40+

InChIKey

DPKBPTNQYASJMZ-VJETXLNASA-N

Smiles

Cc1cc(c(cc1/N=N/c2c(ccc3c2cc(cc3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)/N=N/c4ccc(c5c4cc(cc5)S(=O)(=O)O)Nc6nc(nc(n6)Cl)N