3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-
[(3S,4S)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate
Also Known As: 3,4-Dihydrotetraphene-3,4-diyl diacetate|3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-|(3S,4S)-3,4-Dihydrotetraphene-3,4-diyl diacetate|Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, trans-|((3S,4S)-3-Acetyloxy-3,4-dihydrobenzo(a)anthracen-4-yl) acetate|Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3S-trans)-|Benz[a]anthracene-3,4-diol, 3,4-dihydro-, diacetate, trans-|[(3S,4S)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.1205 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1205 |
| Monoisotopic Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 80433-93-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=CC2=C([C@@H]1OC(=O)C)C=CC3=CC4=CC=CC=C4C=C32 |
| InChIKey | XPKGWMVQOJZDTF-VXKWHMMOSA-N |
Product Overview
3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- (CAS 80433-93-8), with molecular formula C22H18O4 and molecular weight 346.1205 g/mol. IUPAC: [(3S,4S)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate.