6,11-Dioxo-1,2,3,4,6,11-hexahydrotetracene-1,5,12-triyl triacetate
Basic information
- CAS
89564-53-4- Standard SMILES
CC(=O)Oc1c2c(c(OC(C)=O)c3c1C(=O)c1ccccc1C3=O)C(OC(C)=O)CCC2- InChIKey
QRJNSKFOJLJIMW-UHFFFAOYSA-N- Molecular formula
- C24H20O8
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.11581759
Names & identifiers
- Preferred name
- 6,11-Dioxo-1,2,3,4,6,11-hexahydrotetracene-1,5,12-triyl triacetate
- IUPAC
- (5,12-diacetyloxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-1-yl) acetate
Names & synonyms
89564-53-46,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1,5,12-triyl triacetateNSC113465DTXSID60297050NSC-113465
Database identifiers
- CAS
89564-53-4- PubChem CID
- 270733
- DTXSID
DTXSID60297050
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 819
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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