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

Systemtic Name: [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxidanylidene-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ethanoate Openeye Name: [(1S,2S,3aS)-1-acetoxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate CAS Name: acetic acid [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ester IUPAC Name: [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate Traditional Name: acetic acid [(1S,2S,3aS)-1-acetoxy-6-butyl-5-keto-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ester Formula: C16H22O5 MolecularWeight: 294.34288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(CC(C2OC(=O)C)OC(=O)C)CC1=O

Isomeric SMILES

CCCCC1=C2[C@@H](C[C@@H]([C@H]2OC(=O)C)OC(=O)C)CC1=O

InChI

InChI=1S/C16H22O5/c1-4-5-6-12-13(19)7-11-8-14(20-9(2)17)16(15(11)12)21-10(3)18/h11,14,16H,4-8H2,1-3H3/t11-,14+,16-/m1/s1