Basic information
- CAS
19086-81-8- Standard SMILES
O=C1C2C3CCC4C5C3C1C5S(=O)(=O)C42- InChIKey
USPSFRIGBQIFSR-UHFFFAOYSA-N- Molecular formula
- C11H12O3S
- Average molar mass
- 224.28 g/mol
Names & identifiers
- Preferred name
- 6,2,5-Ethanylylidene-2H-cyclobuta[cd][2]benzothiophen-7-one, octahydro-, 1,1-dioxide
- IUPAC
- 9,9-dioxo-9λ6-thiapentacyclo[6.4.0.02,7.03,11.06,10]dodecan-12-one
- English name
- Octahydro-6,2,5-ethan[1]yl[2]ylidene-2H-cyclobuta[cd][2]benzothiophen-7-one 1,1-dioxide
- Molecular formula
- C11H12O3S
- Molecular weight
- 224.27618
Names & synonyms
USPSFRIGBQIFSR-UHFFFAOYSA-NNSC13544619086-81-8RCL T162132AKOS024329009NSC-1354466,2,5-Ethanylylidene-2H-cyclobuta[cd][2]benzothiophen-7-one, octahydro-, 1,1-dioxide9,9-dioxo-9lambda6-thiapentacyclo[6.4.0.02,7.03,11.06,10]dodecan-12-oneOctahydro-6,2,5-ethan[1]yl[2]ylidene-2H-cyclobuta[cd][2]benzothiophen-7-one 1,1-dioxide
Database identifiers
- CAS
19086-81-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 502
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…