Basic information
- CAS
58976-84-4- Standard SMILES
CC(=O)OC1C=CCC23C(=O)C=CC(=O)C12C(=O)c1ccccc1C3=O- InChIKey
PEZSUQNDQTYSRK-UHFFFAOYSA-N- Molecular formula
- C20H14O6
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.07903816
Names & identifiers
- Preferred name
- (2,9,15,18-Tetraoxo-11-tetracyclo[8.4.4.01,10.03,8]octadeca-3,5,7,12,16-pentaenyl) acetate
- IUPAC
- (2,9,15,18-tetraoxo-11-tetracyclo[8.4.4.01,10.03,8]octadeca-3,5,7,12,16-pentaenyl) acetate
Names & synonyms
NSC17889758976-84-4DTXSID70330023NSC-1788979,10,11,14-Tetraoxo-1,4,9,10-tetrahydro-4a,9a-but[2]enoanthracen-1-yl acetate
Database identifiers
- CAS
58976-84-4- PubChem CID
- 425992
- DTXSID
DTXSID70330023
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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