[(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] benzoate

Systemtic Name: [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] benzoate Openeye Name: [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] benzoate CAS Name: benzoic acid [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] ester IUPAC Name: [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] benzoate Traditional Name: benzoic acid [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] ester Formula: C18H24O3 MolecularWeight: 288.38136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC12C(CCCC1(O2)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@]12[C@H](CCC[C@]1(O2)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H24O3/c1-3-4-13-18-15(11-8-12-17(18,2)21-18)20-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3/t15-,17+,18-/m0/s1