Spiro[benzofuran-2(3H),1a(2)-[5]cyclohexene]-3a(2)-acetic acid, 7-chloro-4,6,6a(2)-trimethoxy-2a(2)-methyl-I+/-,3,4a(2)-trioxo-, ethyl ester
Basic information
- CAS
25357-23-7- Standard SMILES
CCOC(=O)C(=O)C1C(=O)C=C(OC)C2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)C1C- InChIKey
AFGDNYNJOOZWLA-UHFFFAOYSA-N- Molecular formula
- C21H21ClO9
- Average molar mass
- 452.8 g/mol
- Monoisotopic mass
- 452.0874099
Names & identifiers
- Preferred name
- Spiro[benzofuran-2(3H),1a(2)-[5]cyclohexene]-3a(2)-acetic acid, 7-chloro-4,6,6a(2)-trimethoxy-2a(2)-methyl-I+/-,3,4a(2)-trioxo-, ethyl ester
- IUPAC
- ethyl 2-(7-chloro-4,4',6-trimethoxy-6'-methyl-2',3-dioxospiro[1-benzofuran-2,5'-cyclohex-3-ene]-1'-yl)-2-oxoacetate
Names & synonyms
DTXSID80110463325357-23-7Spiro[benzofuran-2(3H),1a(2)-[5]cyclohexene]-3a(2)-acetic acid, 7-chloro-4,6,6a(2)-trimethoxy-2a(2)-methyl-I+/-,3,4a(2)-trioxo-, ethyl ester
Database identifiers
- CAS
25357-23-7- PubChem CID
- 165366995
- DTXSID
DTXSID801104633
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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