Basic information
- CAS
71349-33-2- Standard SMILES
O=C1OCCSCCOC(=O)c2ccc(o2)CSCc2ccc1o2- InChIKey
WZHYHQIKMLBMJU-UHFFFAOYSA-N- Molecular formula
- C16H16O6S2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.03883057
Names & identifiers
- Preferred name
- 10,16,21,22-Tetraoxa-3,13-dithiatricyclo(16.2.1.1.(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione
- IUPAC
- 10,16,21,22-tetraoxa-3,13-dithiatricyclo[16.2.1.15,8]docosa-1(20),5,7,18-tetraene-9,17-dione
- English name
- 10,16,21,22-Tetraoxa-3,13-dithiatricyclo[16.2.1.15,8]docosa-5,7,18,20(1)-tetrene-9,17-dione
- Molecular formula
- C16H16O6S2
- Molecular weight
- 368.42464
Names & synonyms
10,16,21,22-Tetraoxa-3,13-dithiatricyclo(16.2.1.1.(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione71349-33-2BRN 16636262-Furoic acid, 5,5'-thiodimethylenedi-, cyclic ester with 2,2'-thiodiethanolDTXSID302215447,13-Dioxa-3,10-dithia-1,5(2,5)-difuranacyclotetradecaphane-6,14-dione10,16,21,22-Tetraoxa-3,13-dithiatricyclo[16.2.1.15,8]docosa-5,7,18,20(1)-tetrene-9,17-dione
Database identifiers
- CAS
71349-33-2- PubChem CID
- 153302
- DTXSID
DTXSID30221544- Nikkaji
- J66.352B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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