2,9-Dihydroxy-1,8-diphenyl-6,12-dithiadispiro[3.2.3^{7}.2^{4}]dodeca-1,8-diene-3,10-dione
Basic information
- CAS
909768-36-1- Standard SMILES
O=C1C(O)=C(c2ccccc2)C12CSC1(CS2)C(=O)C(O)=C1c1ccccc1- InChIKey
ODTMCQFJRBEHHM-UHFFFAOYSA-N- Molecular formula
- C22H16O4S2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.04900133
Names & identifiers
- Preferred name
- 2,9-Dihydroxy-1,8-diphenyl-6,12-dithiadispiro[3.2.3^{7}.2^{4}]dodeca-1,8-diene-3,10-dione
- IUPAC
- 2,9-dihydroxy-1,8-diphenyl-6,12-dithiadispiro[3.2.37.24]dodeca-1,8-diene-3,10-dione
Names & synonyms
NSC3822992,9-dihydroxy-1,8-diphenyl-6,12-dithiadispiro[3.2.3^{7}.2^{4}]dodeca-1,8-diene-3,10-dioneDTXSID8011299922,9-Dihydroxy-3,10-diphenyl-5,11-dithiadispiro[3.2.3.2]dodeca-2,9-diene-1,8-dione909768-36-15,11-Dithiadispiro[3.2.3.2]dodeca-2,9-diene-1,8-dione, 2,9-dihydroxy-3,10-diphenyl-2,9-Dihydroxy-3,10-diphenyl-5,11-dithiadispiro[3.2.3~7~.2~4~]dodeca-2,9-diene-1,8-dione
Database identifiers
- CAS
909768-36-1- PubChem CID
- 343196
- DTXSID
DTXSID801129992- ChEMBL
CHEMBL368859
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 722
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Compound notes
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