Cas no 74499-56-2 (1,3,6-Naphthalenetrisulfonicacid, 7-[2-[4-(acetylamino)phenyl]diazenyl]-8-hydroxy-, sodium salt (1:3))

1,3,6-Naphthalenetrisulfonicacid, 7-[2-[4-(acetylamino)phenyl]diazenyl]-8-hydroxy-, sodium salt (1:3) structure
74499-56-2 structure
Product Name:1,3,6-Naphthalenetrisulfonicacid, 7-[2-[4-(acetylamino)phenyl]diazenyl]-8-hydroxy-, sodium salt (1:3)
CAS No:74499-56-2
MF:C18H12N3Na3O11S3
MW:611.465693473816
CID:573713
PubChem ID:136086460
Update Time:2025-04-19

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

Names and Identifiers

    • 1,3,6-Naphthalenetrisulfonicacid, 7-[2-[4-(acetylamino)phenyl]diazenyl]-8-hydroxy-, sodium salt (1:3)
    • 1,3,6-Naphthalenetrisulfonicacid, 7-[[4-(acetylamino)phenyl]azo]-8-hydroxy-, trisodium salt (9CI)
    • trisodium,(7Z)-7-[(4-acetamidophenyl)hydrazinylidene]-8-oxonaphthalene-1,3,6-trisulfonate
    • DTXSID20890349
    • 1,3,6-Naphthalenetrisulfonic acid, 7-((4-(acetylamino)phenyl)azo)-8-hydroxy-, trisodium salt
    • 74499-56-2
    • 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[4-(acetylamino)phenyl]diazenyl]-8-hydroxy-, sodium salt (1:3)
    • 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(4-(acetylamino)phenyl)diazenyl)-8-hydroxy-, sodium salt (1:3)
    • 1,3,6-Naphthalenetrisulfonic acid, 7-[[4-(acetylamino)phenyl]azo]-8-hydroxy-, trisodium salt
    • Inchi： 1S/C18H15N3O11S3.3Na/c1-9(22)19-11-2-4-12(5-3-11)20-21-17-15(35(30,31)32)7-10-6-13(33(24,25)26)8-14(34(27,28)29)16(10)18(17)23;;;/h2-8,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b21-20+;;;
    • InChI Key： VJQHAOMAHRFIDN-BFUOAJNWSA-K
    • SMILES： S(C1C=C(C=C2C=C(C(=C(C2=1)O)/N=N/C1C=CC(=CC=1)NC(C)=O)S(=O)(=O)[O-])S(=O)(=O)[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 610.933
  • Monoisotopic Mass: 610.933
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 3
  • Complexity: 1210
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 13
  • XLogP3: nothing
  • Topological Polar Surface Area: 267A^2

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

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