Cas no 56878-33-2 (2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulfophenyl)azo]-, tetrasodiumsalt (9CI))

2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulfophenyl)azo]-, tetrasodiumsalt (9CI) structure
56878-33-2 structure
Product Name:2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulfophenyl)azo]-, tetrasodiumsalt (9CI)
CAS No:56878-33-2
MF:C33H20N6Na4O15S4
MW:960.762186050415
CID:376294
PubChem ID:135571053
Update Time:2025-04-19

2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulfophenyl)azo]-, tetrasodiumsalt (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulfophenyl)azo]-, tetrasodiumsalt (9CI)
    • tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate]
    • tetrasodium,4-oxo-7-[[5-oxo-7-sulfonato-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate
    • tetrasodium (3E)-4-oxo-7-[({(6E)-5-oxo-7-sulfonato-6-[2-(4-sulfonatophenyl)hydrazinylidene]-5,6-dihydronaphthalen-2-yl}carbamoyl)amino]-3-[2-(4-sulfonatophenyl)hydrazinylidene]-3,4-dihydronaphthalene-2-sulfonate
    • Tetrasodium 7,7'-(carbonyldiimino)bis(4-hydroxy-3-((4-sulphonatophenyl)azo)naphthalene-2-sulphonate)
    • 56878-33-2
    • NS00053912
    • EINECS 260-418-6
    • Inchi: 1S/C33H24N6O15S4.4Na/c40-31-25-11-5-21(13-17(25)15-27(57(49,50)51)29(31)38-36-19-1-7-23(8-2-19)55(43,44)45)34-33(42)35-22-6-12-26-18(14-22)16-28(58(52,53)54)30(32(26)41)39-37-20-3-9-24(10-4-20)56(46,47)48;;;;/h1-16,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b38-36+,39-37+;;;;
    • InChI Key: RVBPEPBHFLAQTE-ZSUWMTHCSA-J
    • SMILES: S(C1C(=C(C2C=CC(=CC=2C=1)NC(NC1C=CC2C(=C(C(=CC=2C=1)S(=O)(=O)[O-])/N=N/C1C=CC(=CC=1)S(=O)(=O)[O-])O)=O)O)/N=N/C1C=CC(=CC=1)S(=O)(=O)[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 959.9463
  • Monoisotopic Mass: 959.946
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 6
  • Complexity: 2010
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • Topological Polar Surface Area: 386A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 359.83
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