Cas no 15876-44-5 (Aluminum,[3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(3-)]-(9CI))

Aluminum,[3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(3-)]-(9CI) structure
15876-44-5 structure
Product Name:Aluminum,[3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(3-)]-(9CI)
CAS No:15876-44-5
MF:C20H11AlN2O10S3
MW:562.485280275345
CID:164499
PubChem ID:85161
Update Time:2025-04-19

Aluminum,[3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(3-)]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Aluminum,[3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(3-)]-(9CI)
    • LogP
    • aluminum,(4Z)-3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate
    • EINECS 240-007-8
    • [3-Hydroxy-4-[(4-sulfo-1-naphthyl)azo]naphthalene-2,7-disulfonato(3-)]aluminum
    • 15876-44-5
    • (3-Hydroxy-4-((4-sulpho-1-naphthyl)azo)naphthalene-2,7-disulphonato(3-))aluminium
    • Inchi： 1S/C20H14N2O10S3.Al/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+3/p-3/b22-21+;
    • InChI Key： VGVCYVQGAQCIRY-QUABFQRHSA-K
    • SMILES： S(C1C(=C(C2C=CC(=CC=2C=1)S(=O)(=O)[O-])/N=N/C1C=CC(=C2C=CC=CC2=1)S(=O)(=O)[O-])O)(=O)(=O)[O-].[Al+3]

Computed Properties

  • Exact Mass: 561.93913
  • Monoisotopic Mass: 561.9391215g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 2
  • Complexity: 1080
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 242?2

Experimental Properties

  • PSA: 213.06

Aluminum,[3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(3-)]-(9CI) Related Literature

15876-44-5 (Aluminum,[3-hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonato(3-)]-(9CI)) Related Products

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