6,11-Dioxo-1,4,6,11-tetrahydrotetracene-5,12-diyl diacetate
Basic information
- CAS
58976-90-2- Standard SMILES
CC(=O)Oc1c2c(c(OC(C)=O)c3c1C(=O)c1ccccc1C3=O)CC=CC2- InChIKey
UQPYZNYVVKWDDB-UHFFFAOYSA-N- Molecular formula
- C22H16O6
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.09468823
Names & identifiers
- Preferred name
- 6,11-Dioxo-1,4,6,11-tetrahydrotetracene-5,12-diyl diacetate
- IUPAC
- (12-acetyloxy-6,11-dioxo-1,4-dihydrotetracen-5-yl) acetate
Names & synonyms
58976-90-2NSC219985DTXSID30309937NSC-2199856,11-Dioxo-1,4,6,11-tetrahydrotetracene-5,12-diyl diacetate
Database identifiers
- CAS
58976-90-2- PubChem CID
- 311995
- DTXSID
DTXSID30309937- Nikkaji
- J2.023.438E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 665
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Related reactions
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Compound notes
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