[(1S,2S,3aS)-1-acetyloxy-5-oxidanylidene-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ethanoate

Systemtic Name: [(1S,2S,3aS)-1-acetyloxy-5-oxidanylidene-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ethanoate Openeye Name: [(1S,2S,3aS)-1-acetoxy-5-oxo-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate CAS Name: acetic acid [(1S,2S,3aS)-1-acetyloxy-5-oxo-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ester IUPAC Name: [(1S,2S,3aS)-1-acetyloxy-5-oxo-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate Traditional Name: acetic acid [(1S,2S,3aS)-1-acetoxy-5-keto-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ester Formula: C18H18O5 MolecularWeight: 314.33252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2CC(=O)C(=C2C1OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1C[C@H]2CC(=O)C(=C2[C@@H]1OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18O5/c1-10(19)22-15-9-13-8-14(21)16(12-6-4-3-5-7-12)17(13)18(15)23-11(2)20/h3-7,13,15,18H,8-9H2,1-2H3/t13-,15+,18-/m1/s1