Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-, disodium salt
Basic information
- CAS
25295-51-6- Standard SMILES
Nc1nc(NCCO)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(N)nc(NCCO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]- InChIKey
QHBWLNCWLAEYIE-SEPHDYHBSA-L- Molecular formula
- C24H26N12Na2O8S2
- Average molar mass
- 720.7 g/mol
- Monoisotopic mass
- 720.12333675
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-, disodium salt
- IUPAC
- disodium;5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Names & synonyms
EINECS 246-794-4Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-, disodium saltQHBWLNCWLAEYIE-SEPHDYHBSA-L2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-amino-6-(2-hydroxyethyl)amino-s-triazin-2-yl)amino)-, disodium saltDisodium 4,4'-bis((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonateStilbene-2,2'-disulfonic acid, 4,4'-bis-amino-{(2,2'-hydroxyethylamino-4,4'-amino)-triazine-6-yl}, disodium saltNS00049603
Database identifiers
- CAS
25295-51-6- PubChem CID
- 6440975
- Nikkaji
- J236.119A
Properties
Computed structural properties
- Topological polar surface area
- 349 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,080
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