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Substance Name: 4,4'-Bis((6-anilino-4-((2-hydroxyethyl)methylamino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with 2,2',2''-nitrilotriethanol
RN: 94277-48-2
InChIKey: KEJMEWLDHSWXPV-IERUDJENSA-N

Molecular Formula

  • C38-H40-N12-O8-S2.x-C6-H15-N-O3

Molecular Weight

  • 1006.1305
 
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Names and Synonyms

Synonym

  • EINECS 304-632-0

Systematic Name

  • 4,4'-Bis((6-anilino-4-((2-hydroxyethyl)methylamino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with 2,2',2''-nitrilotriethanol

Registry Numbers

CAS Registry Number

  • 94277-48-2

System Generated Number

  • 0094277482

Molecular Formulas

Molecular Formula

  • C38-H40-N12-O8-S2.x-C6-H15-N-O3

Molecular Formula Fragments

  • C38-H40-N12-O8-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C38H40N12O8S2.C6H15NO3/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;8-4-1-7(2-5-9)3-6-10/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);8-10H,1-6H2/b14-13+;

InChIKey

KEJMEWLDHSWXPV-IERUDJENSA-N

Smiles

CN(CCO)c1nc(nc(n1)Nc2ccc(c(c2)S(=O)(=O)O)/C=C/c3ccc(cc3S(=O)(=O)O)Nc4nc(nc(n4)N(C)CCO)Nc5ccccc5)Nc6ccccc6.C(CO)N(CCO)CCO