Basic information
- CAS
72252-60-9- Standard SMILES
Cc1cc(NC(=O)C=CC(=O)Nc2ccc(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(C)c2)ccc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
GDLMSXBTFNDZNS-UHFFFAOYSA-J- Molecular formula
- C42H30N10Na4O14S4
- Average molar mass
- 1,119 g/mol
- Monoisotopic mass
- 1,118.0416575
Overview
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Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;2-[[2-methyl-4-[[4-[3-methyl-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]anilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
Names & synonyms
DTXSID30890214Benzenesulfonic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4)RefChem:564039DTXCID80107914372252-60-9NS00062012Tetrasodium 2,2'-{(1,4-dioxobut-2-ene-1,4-diyl)bis[azanediyl(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis{5-[(4-sulfonatophenyl)diazenyl]benzene-1-sulfonate}
Database identifiers
- CAS
72252-60-9- PubChem CID
- 166273
- DTXSID
DTXSID30890214
Properties
Computed structural properties
- Topological polar surface area
- 419 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 12
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 2,180
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4): INACTIVE
Related reactions
0 records
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Compound notes
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