benzoic acid, 4,4'-(5-(3,4-dimethoxybenzylidene)-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium salt
Basic information
- CAS
78472-95-4- Standard SMILES
COc1ccc(C=C2C(=O)N(c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)C(=O)N(c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)C2=O)cc1OC.[K+].[K+]- InChIKey
IISCFYNLVBFYID-UHFFFAOYSA-L- Molecular formula
- C27H16K2N4O13
- Average molar mass
- 682.6 g/mol
- Monoisotopic mass
- 681.9987995
Names & identifiers
- Preferred name
- benzoic acid, 4,4'-(5-(3,4-dimethoxybenzylidene)-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium salt
- IUPAC
- dipotassium;4-[3-(4-carboxylato-3-nitrophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate
Names & synonyms
78472-95-4Benzoic acid, 4,4'-(5-(3,4-dimethoxybenzylidene)-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium saltDTXSID50229108RefChem:327262DTXCID30151599Dipotassium 4,4'-{5-[(3,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinane-1,3-diyl}bis(2-nitrobenzoate)
Database identifiers
- CAS
78472-95-4- PubChem CID
- 54202
- DTXSID
DTXSID50229108- Nikkaji
- J83.354A
Properties
Computed structural properties
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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