Cas no 67786-16-7 (2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-)

2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy- structure
67786-16-7 structure
Product Name:2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-
CAS No:67786-16-7
MF:C22H15N5O11S2
MW:589.511402368546
CID:520697
PubChem ID:105609
Update Time:2025-04-19

2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-
    • LogP
    • 4-[[2,4-Dihydroxy-5-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxy-2,7-naphthalenedisulfonic acid
    • 4-hydroxy-5-[[(3Z)-6-hydroxy-3-[(4-nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]diazenyl]naphthalene-2,7-disulfonic acid
    • 2,7-Naphthalenedisulfonic acid, 4-(2-(2,4-dihydroxy-5-(2-(4-nitrophenyl)diazenyl)phenyl)diazenyl)-5-hydroxy-
    • 4-((2,4-Dihydroxy-5-((4-nitrophenyl)azo)phenyl)azo)-5-hydroxy-2,7-naphthalenedisulfonic acid
    • 2,7-Naphthalenedisulfonic acid, 4-[[2,4-dihydroxy-5-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxy-
    • DTXSID8070596
    • 2,7-Naphthalenedisulfonic acid, 4-((2,4-dihydroxy-5-((4-nitrophenyl)azo)phenyl)azo)-5-hydroxy-
    • 67786-16-7
    • Inchi： 1S/C22H15N5O11S2/c28-19-10-20(29)17(9-16(19)24-23-12-1-3-13(4-2-12)27(31)32)25-26-18-7-14(39(33,34)35)5-11-6-15(40(36,37)38)8-21(30)22(11)18/h1-10,28-30H,(H,33,34,35)(H,36,37,38)/b24-23+,26-25+
    • InChI Key： NTSABDSHEXIZDT-QSZPNPOGSA-N
    • SMILES： S(C1C=C(C2C(=CC(=CC=2C=1)S(=O)(=O)O)O)/N=N/C1C(=CC(=C(C=1)/N=N/C1C=CC(=CC=1)[N+](=O)[O-])O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 589.02105
  • Monoisotopic Mass: 589.020948
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 6
  • Complexity: 1350
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 278
  • XLogP3: 3

Experimental Properties

  • Density: 1.824
  • Refractive Index: 1.779
  • PSA: 258.52

2,7-Naphthalenedisulfonicacid,4-[2-[2,4-dihydroxy-5-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy- Related Literature

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