Basic information
- CAS
16808-53-0- Standard SMILES
O=S1(=O)C=CC12CC1c3ccccc3C2c2ccccc21- InChIKey
FHEBPCLVWYDBFG-UHFFFAOYSA-N- Molecular formula
- C18H14O2S
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.07145086
Names & identifiers
- Preferred name
- Spiro[tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,2'-thiete] 1',1'-dioxide
- IUPAC
- spiro[tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,2'-thiete] 1',1'-dioxide
Names & synonyms
16808-53-0NSC135329RCL T162566AKOS024321332NSC-135329
Database identifiers
- CAS
16808-53-0- PubChem CID
- 282153
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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