Benzenesulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(2,4-diamino-5-methyl-, sodium salt (1:2)
Basic information
- CAS
6405-94-3- Standard SMILES
Cc1cc(N=Nc2c(N)c(C)cc(S(=O)(=O)[O-])c2N)ccc1-c1ccc(N=Nc2c(N)c(C)cc(S(=O)(=O)[O-])c2N)cc1C.[Na+].[Na+]- InChIKey
AZNGCEVYPQWCAW-UHFFFAOYSA-L- Molecular formula
- C28H28N8Na2O6S2
- Average molar mass
- 682.7 g/mol
- Monoisotopic mass
- 682.13686155
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(2,4-diamino-5-methyl-, sodium salt (1:2)
- IUPAC
- disodium;2,4-diamino-3-[[4-[4-[(2,6-diamino-3-methyl-5-sulfonatophenyl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-5-methylbenzenesulfonate
Names & synonyms
EINECS 229-024-16405-94-3Benzenesulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(2,4-diamino-5-methyl-, sodium salt (1:2)Benzenesulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(2,4-diamino-5-methyl-, disodium saltBenzenesulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-diamino-5-methyl-, disodium saltBenzenesulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[2,4-diamino-5-methyl-, sodium salt (1:2)RefChem:564218AZNGCEVYPQWCAW-UHFFFAOYSA-LDisodium 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(2,4-diamino-5-methylbenzenesulphonate)
Database identifiers
- CAS
6405-94-3- PubChem CID
- 80820
- EC Number
- 229-024-1
Properties
Computed structural properties
- Topological polar surface area
- 285 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,130
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[2,4-diamino-5-methyl-, sodium salt (1:2): INACTIVE
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