Tetrasodium 3,10-bis((4-amino-3-sulphonatophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonate
Basic information
- CAS
83929-54-8- Standard SMILES
Nc1ccc(Nc2cc3c(c(S(=O)(=O)O)c2)Oc2c(Cl)c4c(c(Cl)c2=N3)Oc2c(ccc(Nc3ccc(N)c(S(=O)(=O)O)c3)c2S(=O)(=O)O)N=4)c(S(=O)(=O)O)c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
IOGAYEAYMUVXFG-UHFFFAOYSA-N- Molecular formula
- C30H20Cl2N6Na4O14S4+4
- Average molar mass
- 979.6 g/mol
- Monoisotopic mass
- 977.8888165
Names & identifiers
- Preferred name
- Tetrasodium 3,10-bis((4-amino-3-sulphonatophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonate
- IUPAC
- tetrasodium;9-(4-amino-2-sulfoanilino)-3-(4-amino-3-sulfoanilino)-6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
Names & synonyms
EINECS 281-346-183929-54-8Tetrasodium 3,10-bis((4-amino-3-sulphonatophenyl)amino)-6,13-dichlorotriphenodioxazine-4,11-disulphonateIOGAYEAYMUVXFG-UHFFFAOYSA-N
Database identifiers
- CAS
83929-54-8- PubChem CID
- 129011013
- EC Number
- 281-346-1
Properties
Computed structural properties
- Topological polar surface area
- 370 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 8
- Heavy atoms
- 60
- Formal charge
- 4
- Complexity
- 2,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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