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Substance Name: 2,2'-(Ethylene)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)benzenesulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:2)
RN: 58381-76-3
InChIKey: FHGXZXOOQNOAKG-UHFFFAOYSA-N

Molecular Formulas

  • C30-H38-N10-O12-S2.2C6-H15-N-O3
  • C30-H38-N10-S2.2C6-H15-N-O3

Molecular Weight

  • 946.0245
 
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Names and Synonyms

Synonym

  • EINECS 261-232-8

Systematic Names

  • 2,2'-(Ethylene)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)benzenesulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:2)
  • Benzenesulfonic acid, 2,2'-(1,2-ethanediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)

Registry Numbers

CAS Registry Number

  • 58381-76-3

System Generated Number

  • 0058381763

Molecular Formulas

Molecular Formulas

  • C30-H38-N10-O12-S2.2C6-H15-N-O3
  • C30-H38-N10-S2.2C6-H15-N-O3

Molecular Formula Fragments

  • C30-H38-N10-O12-S2
  • C30-H38-N10-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C30H40N10O12S2.C6H15NO3/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;8-4-1-7(2-5-9)3-6-10/h5-8,17-18,41-44H,3-4,9-16H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);8-10H,1-6H2

InChIKey

FHGXZXOOQNOAKG-UHFFFAOYSA-N

Smiles

COc1nc(nc(n1)N(CCO)CCO)Nc2ccc(c(c2)S(=O)(=O)O)CCc3ccc(cc3S(=O)(=O)O)Nc4nc(nc(n4)OC)N(CCO)CCO.C(CO)N(CCO)CCO