1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione
Basic information
- CAS
79687-38-0- Standard SMILES
O=C1COCC(=O)SCC(=O)OCCOCCOCCO1- InChIKey
NQVYWSHBYVOBJU-UHFFFAOYSA-N- Molecular formula
- C12H18O8S
- Average molar mass
- 322.33 g/mol
- Monoisotopic mass
- 322.0722387
Names & identifiers
- Preferred name
- 1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione
- IUPAC
- 1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-3,14,17-trione
Names & synonyms
1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane-3,14,17-trione79687-38-0DTXSID70339894RefChem:219884DTXCID10290975NQVYWSHBYVOBJU-UHFFFAOYSA-N
Database identifiers
- CAS
79687-38-0- PubChem CID
- 559654
- DTXSID
DTXSID70339894
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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