Basic information
- CAS
93917-97-6- Standard SMILES
O=S(=O)([O-])c1ccc(Nc2nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Nc6ccc(S(=O)(=O)[O-])cc6)nc(N6CCOCC6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc(N3CCOCC3)n2)cc1.OCCN(CCO)CCO.[Na+].[Na+].[Na+].[Na+]- InChIKey
MDSIVPOAGOJAPM-JGMWHDQESA-J- Molecular formula
- C46H51N13Na4O17S4
- Average molar mass
- 1,278.2 g/mol
- Monoisotopic mass
- 1,277.199949
Names & identifiers
- Preferred name
- Einecs 299-878-8
- IUPAC
- tetrasodium;2-[bis(2-hydroxyethyl)amino]ethanol;5-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Names & synonyms
EINECS 299-878-893917-97-64,4'-Bis((4-morpholino-6-((4-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt, compound with2,2',2''-nitrilotriethanol
Database identifiers
- CAS
93917-97-6- PubChem CID
- 44147752
- EC Number
- 299-878-8
Properties
Computed structural properties
- Topological polar surface area
- 477 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 18
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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