Basic information
- CAS
37138-23-1- Standard SMILES
O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Nc3ccccc3)n2)ccc1C=Cc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
KGSSIJBRDHHFTI-UHFFFAOYSA-L- Molecular formula
- C32H22Cl2N10Na2O6S2
- Average molar mass
- 823.6 g/mol
- Monoisotopic mass
- 822.03376434
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
- IUPAC
- disodium;5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Names & synonyms
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium saltSCHEMBL1536255DTXSID50889721Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)disodium 4,4'-bis(4-chloro-6-anilino-s-triazin-2-ylamino)-2,2'-stilbenedisulfonateDisodium 2,2'-(ethene-1,2-diyl)bis{5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzene-1-sulfonate}
Database identifiers
- CAS
37138-23-1- PubChem CID
- 169857
- DTXSID
DTXSID50889721
Properties
Computed structural properties
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,250
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2): ACTIVE
Related reactions
1 records
Compound notes
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