Completing data — refresh the page later to see the latest
Basic information
- CAS
91422-92-3- Standard SMILES
O=C(O[C@@H]1CCc2cc3c(ccc4ccccc43)cc2[C@@H]1OC(=O)c1ccccc1)c1ccccc1- InChIKey
GPIJMUFPIOLLBU-IHLOFXLRSA-N- Molecular formula
- C32H24O4
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.16745924
Names & identifiers
- Preferred name
- Benz(a)anthracene-8,9-diol, 8,9,10,11-tetrahydro-, dibenzoate, (8S-cis)-
- IUPAC
- [(8S,9R)-8-benzoyloxy-8,9,10,11-tetrahydrobenzo[a]anthracen-9-yl] benzoate
Names & synonyms
91422-92-3Benz(a)anthracene-8,9-diol, 8,9,10,11-tetrahydro-, dibenzoate, (8S-cis)-DTXSID70919751(8S,9R)-8,9,10,11-tetrahydrotetraphene-8,9-diyl dibenzoate8,9,10,11-Tetrahydrotetraphene-8,9-diyl dibenzoate
Database identifiers
- CAS
91422-92-3- PubChem CID
- 190141
- DTXSID
DTXSID70919751
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…