Basic information
- CAS
944482-03-5- Standard SMILES
NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)CCS(=O)(=O)[O-])c3)n2)ccc1N=Nc1cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
QIDYLVLMORZWRT-UHFFFAOYSA-J- Molecular formula
- C28H20ClN9Na4O15S5
- Average molar mass
- 1,010.3 g/mol
- Monoisotopic mass
- 1,008.8961717
Names & identifiers
- Preferred name
- 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[(2-sulfoethyl)sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfonatoethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
Names & synonyms
DTXSID1013609771,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[(2-sulfoethyl)sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)944482-03-5
Database identifiers
- CAS
944482-03-5- PubChem CID
- 177841925
- DTXSID
DTXSID101360977- EC Number
- 619-040-0
Properties
Computed structural properties
- Topological polar surface area
- 447 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 10
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 2,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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