Basic information
- CAS
75848-21-4- Standard SMILES
CC1=C(C(=O)Nc2ccccc2)SCCO1.COC(=O)Nc1nc2ccccc2[nH]1.O=C([O-])c1ccccc1O.[Cu+2].[O-]c1cccc2cccnc12- InChIKey
DXGPLGPVXNBIQZ-UHFFFAOYSA-L- Molecular formula
- C37H33CuN5O8S
- Average molar mass
- 771.3 g/mol
- Monoisotopic mass
- 770.134581
Names & identifiers
- Preferred name
- Oxalin
- IUPAC
- copper;2-hydroxybenzoate;methyl N-(1H-benzimidazol-2-yl)carbamate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;quinolin-8-olate
Names & synonyms
OxalinOxalin KIPO 2526IPO 2527IPO 252975848-21-4Copper, (2-hydroxybenzoato-O1,O2)(8-quinolinolato-N1,O8)-, mixt. with 5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide and methyl 1H-benzimidazol-2-ylcarbamate
Database identifiers
- CAS
75848-21-4- PubChem CID
- 72201072
Properties
Computed structural properties
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 860
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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