2,2'-Azobis(2-Sulphonato-4,1-phenylene)vinylene(3-sulphonato-4,1-phenylene)bis2H-naphtho1,2-dtriazole-5-sulphonate (sodium salt)

HCID 93067

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Basic information

CAS: 12222-60-5
Standard SMILES: O=S(=O)([O-])c1cc(N=Nc2ccc(C=Cc3ccc(-n4nc5cc(S(=O)(=O)[O-])c6ccccc6c5n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)ccc1C=Cc1ccc(-n2nc3cc(S(=O)(=O)[O-])c4ccccc4c3n2)cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey: YHNSVZNUHTUJMW-UHFFFAOYSA-H
Molecular formula: C48H26N8Na6O18S6
Average molar mass: 1,333.1 g/mol
Monoisotopic mass: 1,331.9075487

Names & identifiers

Preferred name: 2,2'-Azobis(2-Sulphonato-4,1-phenylene)vinylene(3-sulphonato-4,1-phenylene)bis2H-naphtho1,2-dtriazole-5-sulphonate (sodium salt)
IUPAC: hexasodium;2-[3-sulfonato-4-[2-[2-sulfonato-4-[[3-sulfonato-4-[2-[2-sulfonato-4-(5-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]benzo[e]benzotriazole-5-sulfonate

Names & synonyms

DTXSID80889597YHNSVZNUHTUJMW-UHFFFAOYSA-H2,2'-Azobis(2-Sulphonato-4,1-phenylene)vinylene(3-sulphonato-4,1-phenylene)bis2H-naphtho1,2-dtriazole-5-sulphonate (sodium salt)Hexasodium 2,2'-{diazenediylbis[(2-sulfonato-4,1-phenylene)ethene-2,1-diyl(3-sulfonato-4,1-phenylene)]}di(2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate)

Database identifiers

CAS: 12222-60-5
PubChem CID: 93067
DTXSID: DTXSID80889597

Properties

Computed structural properties

Topological polar surface area: 480 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 24
Rotatable bonds: 8
Heavy atoms: 86
Formal charge: 0
Complexity: 2,750

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