Basic information
- CAS
71349-38-7- Standard SMILES
O=C1OCCOCCOCCOCCOCCOCCOC(=O)c2ccc(o2)CSCc2ccc1o2- InChIKey
CKVNYWSJEHYJJC-UHFFFAOYSA-N- Molecular formula
- C24H32O11S
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.16653301
Names & identifiers
- Preferred name
- 10,13,16,19,22,25,28,33,34-Nonaoxa-3-thiatricyclo(28.2.1.1(5,8))tetratriaconta-5,7,30,32-tetraene-9,29-dione
- IUPAC
- 10,13,16,19,22,25,28,33,34-nonaoxa-3-thiatricyclo[28.2.1.15,8]tetratriaconta-1(32),5,7,30-tetraene-9,29-dione
Names & synonyms
10,13,16,19,22,25,28,33,34-Nonaoxa-3-thiatricyclo(28.2.1.1(5,8))tetratriaconta-5,7,30,32-tetraene-9,29-dione71349-38-7DTXSID702215487,10,13,16,19,22,25-Heptaoxa-3-thia-1,5(2,5)-difuranacyclohexacosaphane-6,26-dione
Database identifiers
- CAS
71349-38-7- PubChem CID
- 153306
- DTXSID
DTXSID70221548
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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