1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane-5,9-dione
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Basic information
- CAS
63689-65-6- Standard SMILES
O=C1CSCC(=O)OCCOCCSCCOCCO1- InChIKey
ZJFFUCXSXBIJTF-UHFFFAOYSA-N- Molecular formula
- C12H20O6S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.0701307
Names & identifiers
- Preferred name
- 1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane-5,9-dione
- IUPAC
- 1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-5,9-dione
- English name
- 2,6-DIKETO-4,13-DITHIA-18-CROWN-6
- Molecular formula
- C12H20O6S2
- Molecular weight
- 324.41
Names & synonyms
63689-65-61,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-5,9-dioneNSC297859DTXSID70315850NSC-2978592,6-DIKETO-4,13-DITHIA-18-CROWN-6
Database identifiers
- CAS
63689-65-6- PubChem CID
- 326438
- DTXSID
DTXSID70315850
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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