9,10-Dihydrospiro[9,10-ethanoanthracene-11,2'-thietane] 1',1'-dioxide
Basic information
- CAS
16808-56-3- Standard SMILES
O=S1(=O)CCC12CC1c3ccccc3C2c2ccccc21- InChIKey
KOSOJJJPNLFPQO-UHFFFAOYSA-N- Molecular formula
- C18H16O2S
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.08710092
Names & identifiers
- Preferred name
- 9,10-Dihydrospiro[9,10-ethanoanthracene-11,2'-thietane] 1',1'-dioxide
- IUPAC
- spiro[tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,2'-thietane] 1',1'-dioxide
Names & synonyms
16808-56-39,10-dihydrospiro[9,10-ethanoanthracene-11,2'-thietane] 1',1'-dioxideNSC135383DTXSID60300210RCL T162558AKOS024321331NSC-1353839,10-Dihydro-1'lambda~6~-spiro[9,10-ethanoanthracene-11,2'-thietane]-1',1'-dione
Database identifiers
- CAS
16808-56-3- PubChem CID
- 282198
- DTXSID
DTXSID60300210
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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