Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
Basic information
- CAS
61770-38-5- Standard SMILES
CCOC(=O)C(C(=O)OCC)C1CC2C3CCC(C3)C2S(=O)(=O)C1- InChIKey
HIKAJQGJYMJEJA-UHFFFAOYSA-N- Molecular formula
- C17H26O6S
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.14500972
Names & identifiers
- Preferred name
- Diethyl 2-(3,3-dioxo-3lambda6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
- IUPAC
- diethyl 2-(3,3-dioxo-3λ6-thiatricyclo[6.2.1.02,7]undecan-5-yl)propanedioate
Names & synonyms
NSC27341061770-38-5DTXSID80313625NSC-273410Diethyl (1,1-dioxodecahydro-5,8-methano-1lambda~6~-1-benzothiopyran-3-yl)propanedioate
Database identifiers
- CAS
61770-38-5- PubChem CID
- 321563
- DTXSID
DTXSID80313625
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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