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Substance Name: 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with 2,2'-iminodiethanol
RN: 85187-66-2
InChIKey: AAFLUHZHEJSXJJ-BJILWQEISA-N

Molecular Formula

  • C30-H38-N10-O12-S2.x-C4-H11-N-O2

Molecular Weight

  • 899.9561
 
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Names and Synonyms

Synonym

  • EINECS 286-154-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85187-66-2

System Generated Number

  • 0085187662

Molecular Formulas

Molecular Formula

  • C30-H38-N10-O12-S2.x-C4-H11-N-O2

Molecular Formula Fragments

  • C30-H38-N10-O12-S2
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C30H38N10O12S2.C4H11NO2/c1-51-29-35-25(33-27(37-29)39(9-13-41)10-14-42)31-21-7-5-19(23(17-21)53(45,46)47)3-4-20-6-8-22(18-24(20)54(48,49)50)32-26-34-28(38-30(36-26)52-2)40(11-15-43)12-16-44;6-3-1-5-2-4-7/h3-8,17-18,41-44H,9-16H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);5-7H,1-4H2/b4-3+;

InChIKey

AAFLUHZHEJSXJJ-BJILWQEISA-N

Smiles

COc1nc(nc(n1)N(CCO)CCO)Nc2ccc(c(c2)S(=O)(=O)O)/C=C/c3ccc(cc3S(=O)(=O)O)Nc4nc(nc(n4)OC)N(CCO)CCO.C(CO)NCCO