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Substance Name: 2-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, compd. with 2-(diethylamino)ethanol (1:3)
RN: 94160-05-1
InChIKey: HINNBJRGYVLAAP-MEOBUMOMSA-N

Molecular Formula

  • C44-H35-N13-O11-S3.3C6-H15-N-O

Molecular Weight

  • 1369.61
 
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Names and Synonyms

Synonym

  • EINECS 303-286-8

Systematic Name

  • 2-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, compd. with 2-(diethylamino)ethanol (1:3)

Registry Numbers

CAS Registry Number

  • 94160-05-1

System Generated Number

  • 0094160051

Molecular Formulas

Molecular Formula

  • C44-H35-N13-O11-S3.3C6-H15-N-O

Molecular Formula Fragments

  • C44-H35-N13-O11-S3
  • C6-H15-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C44H35N13O11S3.3C6H15NO/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;3*1-3-7(4-2)5-6-8/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);3*8H,3-6H2,1-2H3/b54-51+,55-52+,56-50+,57-53+;;;

InChIKey

HINNBJRGYVLAAP-MEOBUMOMSA-N

Smiles

c1c(c(c(c2cc(ccc12)/N=N/c1c(cc(cc1)N)N)O)/N=N/c1cc(c(cc1)Nc1ccc(cc1)/N=N/c1c(c2c(cc1S(=O)(=O)O)ccc(c2)/N=N/c1c(cc(cc1)N)N)O)S(=O)(=O)O)S(=O)(=O)O.OCCN(CC)CC.OCCN(CC)CC.OCCN(CC)CC