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Substance Name: EINECS 264-025-0
RN: 63217-29-8
InChIKey: XFOQPJHUIDKFPA-IANWBZOYSA-N

Molecular Formula

  • C49-H54-N4-O12-S2.2C5-H5-N

Molecular Weight

  • 1113.32
 
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Names and Synonyms

Results Name

  • EINECS 264-025-0

Synonym

  • EINECS 264-025-0

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-((4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)azo)-4-hydroxy-, compd. with pyridine (1:2)
  • 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-(2-(4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)diazenyl)-4-hydroxy-, compd. with pyridine (1:2)
  • 5-Acetamido-3-((4-((3-(((4-(2,4-di(tert-pentyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthyl)oxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, compound with pyridine (1:2)

Registry Numbers

CAS Registry Number

  • 63217-29-8

System Generated Number

  • 0063217298

Molecular Formulas

Molecular Formula

  • C49-H54-N4-O12-S2.2C5-H5-N

Molecular Formula Fragments

  • C49-H54-N4-O12-S2
  • C5-H5-N
  • COMPONENT

Structure Descriptors

InChI

1S/C49H54N4O12S2.2C5H5N/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56;2*1-2-4-6-5-3-1/h10-11,14-21,24-28,55-56H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63);2*1-5H/b53-52+;;

InChIKey

XFOQPJHUIDKFPA-IANWBZOYSA-N

Smiles

c1(c(OCCCCNC(=O)c2c(O)c3ccccc3c(Oc3ccc(\N=N\c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(c5c4O)NC(=O)C)cc3)c2)ccc(C(CC)(C)C)c1)C(CC)(C)C.c1cnccc1.c1cnccc1