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Substance Name: 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-((2-methoxy-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)
RN: 94213-49-7
InChIKey: JKERFTOGNXQUNB-ZTJYFDIRSA-N

Molecular Formula

  • C38-H28-N6-O16-S4.4C6-H15-N-O3

Molecular Weight

  • 1549.6832
 
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Names and Synonyms

Synonym

  • EINECS 303-754-1

Systematic Name

  • 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-((2-methoxy-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)

Registry Numbers

CAS Registry Number

  • 94213-49-7

System Generated Number

  • 0094213497

Molecular Formulas

Molecular Formula

  • C38-H28-N6-O16-S4.4C6-H15-N-O3

Molecular Formula Fragments

  • C38-H28-N6-O16-S4
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C38H28N6O16S4.4C6H15NO3/c1-60-31-18-27(62(51,52)53)8-11-30(31)42-44-35-33(64(57,58)59)17-22-14-24(6-10-29(22)37(35)46)40-38(47)39-23-5-9-28-21(13-23)16-32(63(54,55)56)34(36(28)45)43-41-25-4-2-20-15-26(61(48,49)50)7-3-19(20)12-25;4*8-4-1-7(2-5-9)3-6-10/h2-18,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);4*8-10H,1-6H2/b43-41+,44-42+;;;;

InChIKey

JKERFTOGNXQUNB-ZTJYFDIRSA-N

Smiles

N(CCO)(CCO)CCO.N(c1cc2c(cc1)c(c(c(c2)S(=O)(=O)O)/N=N/c1c(cc(cc1)S(=O)(=O)O)OC)O)C(=O)Nc1ccc2c(c(/N=N/c3cc4c(cc3)cc(cc4)S(=O)(=O)O)c(cc2c1)S(=O)(=O)O)O.N(CCO)(CCO)CCO.N(CCO)(CCO)CCO.N(CCO)(CCO)CCO