CID 407450
Basic information
- CAS
4366-31-8- Standard SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
ISCIXAIEDTZJCQ-UHFFFAOYSA-N- Molecular formula
- C27H29N2O8+
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 509.19239089
Names & identifiers
- Preferred name
- CID 407450
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;oxalic acid
Names & synonyms
NSC55504366-31-8DTXSID30328183NCI5550NSC-5550CCG-37719NCGC00013058NCGC00096182-014-((4-(dimethyl-5-azanylidene)-2,5-cyclohexadien-1-ylidene)(phenyl)methyl)-N,N-dimethylaniline diethanedioate
Database identifiers
- CAS
4366-31-8- PubChem CID
- 407450
- DTXSID
DTXSID30328183
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 1
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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