Cas no 6406-55-9 (4-Hydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-1,5-disulfonic acid disodium salt)

4-Hydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-1,5-disulfonic acid disodium salt structure
6406-55-9 structure
Product Name:4-Hydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-1,5-disulfonic acid disodium salt
CAS No:6406-55-9
MF:C22H14N4Na2O7S2
MW:556.478703975677
CID:425049
Update Time:2023-11-19

4-Hydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-1,5-disulfonic acid disodium salt Chemical and Physical Properties

Names and Identifiers

    • 1,5-Naphthalenedisulfonic acid,4-hydroxy-3-[[4-(phenylazo)phenyl]azo]-, disodium salt
    • 4-Hydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-1,5-disulfonic acid disodium salt
    • C.I.26780
    • CID 101919554
    • Croceine Scarlet B
    • Inchi: 1S/C22H16N4O7S2.2Na/c27-22-18(13-20(35(31,32)33)17-7-4-8-19(21(17)22)34(28,29)30)26-25-16-11-9-15(10-12-16)24-23-14-5-2-1-3-6-14;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b24-23+,26-25+;;
    • InChI Key: MSHMTSUZANSULA-RVTJCSDESA-L
    • SMILES: S(C1C=C(C(=C2C(=CC=CC2=1)S(=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: 1
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 5
  • Complexity: 965
  • Topological Polar Surface Area: 201
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