Cas no 6226-96-6 (4,5-Dihydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-2,7-disulfonic acid disodium salt)

4,5-Dihydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-2,7-disulfonic acid disodium salt structure
6226-96-6 structure
Product Name:4,5-Dihydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-2,7-disulfonic acid disodium salt
CAS No:6226-96-6
MF:C22H14N4Na2O8S2
MW:572.478104114532
CID:451609
Update Time:2023-11-19

4,5-Dihydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-2,7-disulfonic acid disodium salt Chemical and Physical Properties

Names and Identifiers

    • 2,7-Naphthalenedisulfonic acid,4,5-dihydroxy-3-[[4-(phenylazo)phenyl]azo]-, disodium salt
    • 4,5-Dihydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-2,7-disulfonic acid disodium salt
    • C.I.27560
    • CID 101919486
    • Chromotrope 7B
    • Inchi: 1S/C22H16N4O8S2.2Na/c27-18-12-17(35(29,30)31)10-13-11-19(36(32,33)34)21(22(28)20(13)18)26-25-16-8-6-15(7-9-16)24-23-14-4-2-1-3-5-14;;/h1-12,27-28H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b24-23+,26-25+;;
    • InChI Key: BGAXEQHYLLCZNC-RVTJCSDESA-L
    • SMILES: S(C1C(=C(C2C(=CC(=CC=2C=1)S(=O)(=O)O)[O-])[O-])/N=N/C1C=CC(=CC=1)/N=N/C1C=CC=CC=1)(=O)(=O)O.[Na+].[Na+]

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 6
  • Complexity: 1010
  • Topological Polar Surface Area: 221
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