Basic information
- Standard SMILES
O=C1OC(=O)c2cc3c(c4cccc1c24)OCOC3- InChIKey
ZUNRHNSMTAOKTE-UHFFFAOYSA-N- Molecular formula
- C14H8O5
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.03717335
Names & identifiers
- Preferred name
- 8H-5,9,11-trioxabenzo[de]anthracene-4,6-dione
- IUPAC
- 3,5,11-trioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaene-10,12-dione
Names & synonyms
SCHEMBL7709331ZUNRHNSMTAOKTE-UHFFFAOYSA-N8H-5,9,11-trioxabenzo[de]anthracene-4,6-dione
Database identifiers
- PubChem CID
- 22623907
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
Related reactions
5 records
Compound notes
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