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Substance Name: 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-((4-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with 2-aminoethanol (1:4)
RN: 80867-11-4
InChIKey: UAIFVJSUMOZCFI-MBCFVHIPSA-N

Molecular Formula

  • C40-H44-N12-O16-S4.4C2-H7-N-O

Molecular Weight

  • 1321.4528
 
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Names and Synonyms

Synonym

  • EINECS 279-604-3

Systematic Name

  • 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-((4-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with 2-aminoethanol (1:4)

Registry Numbers

CAS Registry Number

  • 80867-11-4

System Generated Number

  • 0080867114

Molecular Formulas

Molecular Formula

  • C40-H44-N12-O16-S4.4C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C40-H44-N12-O16-S4
  • COMPONENT

Structure Descriptors

InChI

1S/C40H44N12O16S4.4C2H7NO/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)69(57,58)59)45-37(49-39)43-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(17-21-55)18-22-56)42-28-9-13-32(14-10-28)70(60,61)62;4*3-1-2-4/h1-14,23-24,53-56H,15-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50);4*4H,1-3H2/b2-1+;;;;

InChIKey

UAIFVJSUMOZCFI-MBCFVHIPSA-N

Smiles

c1cc(ccc1Nc2nc(nc(n2)N(CCO)CCO)Nc3ccc(c(c3)S(=O)(=O)O)/C=C/c4ccc(cc4S(=O)(=O)O)Nc5nc(nc(n5)N(CCO)CCO)Nc6ccc(cc6)S(=O)(=O)O)S(=O)(=O)O.C(CO)N.C(CO)N.C(CO)N.C(CO)N