benzoic acid, 4,4'-(dihydro-5-((4-methoxyphenyl)methylene)-2,4,6-trioxo-1,3(2h,4h)-pyrimidinediyl)bis(2-nitro-, dipotassium salt
Basic information
- CAS
78472-89-6- 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)cc1.[K+].[K+]- InChIKey
VRYYUQDEBWVSIV-UHFFFAOYSA-L- Molecular formula
- C26H14K2N4O12
- Average molar mass
- 652.6 g/mol
- Monoisotopic mass
- 651.9882349
Names & identifiers
- Preferred name
- benzoic acid, 4,4'-(dihydro-5-((4-methoxyphenyl)methylene)-2,4,6-trioxo-1,3(2h,4h)-pyrimidinediyl)bis(2-nitro-, dipotassium salt
- IUPAC
- dipotassium;4-[3-(4-carboxylato-3-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate
Names & synonyms
78472-89-6Benzoic acid, 4,4'-(dihydro-5-((4-methoxyphenyl)methylene)-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis(2-nitro-, dipotassium saltDTXSID90229107RefChem:327267DTXCID70151598Dipotassium 4,4'-{5-[(4-methoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinane-1,3-diyl}bis(2-nitrobenzoate)
Database identifiers
- CAS
78472-89-6- PubChem CID
- 54200
- DTXSID
DTXSID90229107- Nikkaji
- J83.449A
Properties
Computed structural properties
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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