Basic information
- CAS
1185750-67-7- Standard SMILES
O=S(=O)([O-])c1ccc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])c(N=Nc5ccccc5S(=O)(=O)[O-])c(O)c34)n2)cc1.[Na+].[Na+].[Na+].[Na+]- InChIKey
TUGPIUFWFVAMFX-UHFFFAOYSA-J- Molecular formula
- C25H14ClN7Na4O13S4
- Average molar mass
- 876.1 g/mol
- Monoisotopic mass
- 874.881173
Names & identifiers
- Preferred name
- 1,7-Naphthalenedisulfonic acid, 4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(1E)-2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate
Names & synonyms
DTXSID0013611341,7-Naphthalenedisulfonic acid, 4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(1E)-2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)1185750-67-7
Database identifiers
- CAS
1185750-67-7- PubChem CID
- 177841998
- DTXSID
DTXSID001361134
Properties
Computed structural properties
- Topological polar surface area
- 370 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 6
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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