Basic information
- CAS
119056-56-3- Standard SMILES
CC(=O)O[C@@H]1c2c(cc3ccccc3c2[N+](=O)[O-])-c2ccccc2[C@@H]1OC(C)=O- InChIKey
SDWDPAIRPZAXMG-FCHUYYIVSA-N- Molecular formula
- C22H17NO6
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.10558726
Names & identifiers
- Preferred name
- Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-
- IUPAC
- [(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] acetate
Names & synonyms
Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-119056-56-35,6-Dihydro-7-nitrobenz(a)anthracene-5,6-diol diacetate (ester), cis-DTXSID30152304(5S,6R)-7-Nitro-5,6-dihydrotetraphene-5,6-diyl diacetate
Database identifiers
- CAS
119056-56-3- PubChem CID
- 147332
- DTXSID
DTXSID30152304
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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