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

Systemtic Name: [(2S,3S,3aR)-3-acetyloxy-5-oxidanylidene-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ethanoate Openeye Name: [(2S,3S,3aR)-3-acetoxy-5-oxo-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate CAS Name: acetic acid [(2S,3S,3aR)-3-acetyloxy-5-oxo-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ester IUPAC Name: [(2S,3S,3aR)-3-acetyloxy-5-oxo-6-phenyl-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate Traditional Name: acetic acid [(2S,3S,3aR)-3-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)OC1CC2=C(C(=O)CC2C1OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1CC2=C(C(=O)C[C@H]2[C@@H]1OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18O5/c1-10(19)22-16-9-13-14(18(16)23-11(2)20)8-15(21)17(13)12-6-4-3-5-7-12/h3-7,14,16,18H,8-9H2,1-2H3/t14-,16+,18+/m1/s1