Cas no 12217-00-4 (1,3,6-Naphthalenetrisulfonicacid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:3))

1,3,6-Naphthalenetrisulfonicacid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:3) structure
12217-00-4 structure
Product Name:1,3,6-Naphthalenetrisulfonicacid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:3)
CAS No:12217-00-4
MF:C22H13N4Na3O10S3
MW:658.523733854294
CID:98705
PubChem ID:2751602
Update Time:2025-04-18

1,3,6-Naphthalenetrisulfonicacid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:3) Chemical and Physical Properties

Names and Identifiers

    • 1,3,6-Naphthalenetrisulfonicacid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:3)
    • Solvent Red 110
    • AKOS000282544
    • DTXSID901023662
    • 12217-00-4
    • C.I. Solvent Red 110
    • Inchi: 1S/C22H16N4O10S3.3Na/c27-22-19(39(34,35)36)11-13-10-17(37(28,29)30)12-18(38(31,32)33)20(13)21(22)26-25-16-8-6-15(7-9-16)24-23-14-4-2-1-3-5-14;;;/h1-12,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3/b24-23+,26-25+;;;
    • InChI Key: YJMNYAQFLKMPBD-VOSXBMHLSA-K
    • SMILES: S(C1C=C(C=C2C=C(C(=C(C2=1)/N=N/C1C=CC(=CC=1)/N=N/C1C=CC=CC=1)O)S(=O)(=O)[O-])S(=O)(=O)[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 657.94868899g/mol
  • Monoisotopic Mass: 657.94868899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 4
  • Complexity: 1190
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 266?2

1,3,6-Naphthalenetrisulfonicacid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:3) Related Literature

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