Basic information
- CAS
111238-20-1- Standard SMILES
CC(=O)O[C@H]1C=Cc2c(ccc3c4c5c(cccc5cc23)CC4)[C@@H]1OC(C)=O- InChIKey
FNJROXHHSPPIAN-UPVQGACJSA-N- Molecular formula
- C24H20O4
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.13615911
Names & identifiers
- Preferred name
- Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-, diacetate, trans-
- IUPAC
- [(9S,10S)-10-acetyloxy-1,2,9,10-tetrahydrobenzo[j]aceanthrylen-9-yl] acetate
Names & synonyms
Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-, diacetate, trans-111238-20-1DTXSID20149561(9S,10S)-1,2,9,10-Tetrahydrocyclopenta[ij]tetraphene-9,10-diyl diacetate
Database identifiers
- CAS
111238-20-1- PubChem CID
- 183233
- DTXSID
DTXSID20149561
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…