4-{[4-(Diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium potassium
Basic information
- CAS
2227142-00-7- Standard SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc([O-])c(S(=O)(=O)O)cc2S(=O)(=O)O)cc1.[K]- InChIKey
MPDFNBJZOFJTSA-UHFFFAOYSA-N- Molecular formula
- C27H32KN2O7S2
- Average molar mass
- 599.8 g/mol
- Monoisotopic mass
- 599.1288002
Names & identifiers
- Preferred name
- 4-{[4-(Diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium potassium
- IUPAC
- 5-{[4-(Diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-2,4-disulfophenolate--potassium (1/1)
Names & synonyms
DTXSID508631872227142-00-74-{[4-(Diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium potassium5-{[4-(Diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-2,4-disulfophenolate--potassium (1/1)
Database identifiers
- CAS
2227142-00-7- PubChem CID
- 165367756
- DTXSID
DTXSID50863187
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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