18,19-Dioxa-3,10,13-trithiatricyclo(13.2.1.1(5,8))nonadeca-5,7,15,17-tetraene-9,14-dione
Basic information
- CAS
71349-42-3- Standard SMILES
O=C1SCCSC(=O)c2ccc(o2)CSCc2ccc1o2- InChIKey
OICLMBSNSPQLKT-UHFFFAOYSA-N- Molecular formula
- C14H12O4S3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 339.98977238
Names & identifiers
- Preferred name
- 18,19-Dioxa-3,10,13-trithiatricyclo(13.2.1.1(5,8))nonadeca-5,7,15,17-tetraene-9,14-dione
- IUPAC
- 18,19-dioxa-3,10,13-trithiatricyclo[13.2.1.15,8]nonadeca-1(17),5,7,15-tetraene-9,14-dione
Names & synonyms
18,19-Dioxa-3,10,13-trithiatricyclo(13.2.1.1(5,8))nonadeca-5,7,15,17-tetraene-9,14-dione71349-42-3DTXSID302215493,7,10-Trithia-1,5(2,5)-difuranacycloundecaphane-6,11-dione
Database identifiers
- CAS
71349-42-3- PubChem CID
- 153202
- DTXSID
DTXSID30221549
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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