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Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:2:2)
RN: 68025-18-3
InChIKey: BQWVPBMQJDPPQV-YZNHWISSSA-L

Molecular Formula

  • C40-H44-N12-O16-S4.2C6-H15-N-O3.2Na

Molecular Weight

  • 1419.46
 
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Names and Synonyms

Synonym

  • EINECS 268-177-9

Systematic Names

  • 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, disodium salt, compound with 2,2',2''-nitrilotriethanol (1:2)
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, disodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:2:2)

Registry Numbers

CAS Registry Number

  • 68025-18-3

System Generated Number

  • 0068025183

Molecular Formulas

Molecular Formula

  • C40-H44-N12-O16-S4.2C6-H15-N-O3.2Na

Molecular Formula Fragments

  • C40-H44-N12-O16-S4
  • C6-H15-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H44N12O16S4.2C6H15NO3.2Na/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62;2*8-4-1-7(2-5-9)3-6-10;;/h1-12,21-24,53-56H,13-20H2,(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);2*8-10H,1-6H2;;/q;;;2*+1/p-2/b8-7+;;;;

InChIKey

BQWVPBMQJDPPQV-YZNHWISSSA-L

Smiles

N(CCO)(CCO)CCO.[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1cc(ccc1)S(=O)(=O)O)S(=O)(=O)O)\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1cc(ccc1)S(=O)(=O)[O-])S(=O)(=O)[O-].N(CCO)(CCO)CCO