[3-(2-methylpropyl)-5-oxidanyl-6-oxidanylidene-7-oxabicyclo[3.2.1]octan-2-yl] benzoate

Systemtic Name: [3-(2-methylpropyl)-5-oxidanyl-6-oxidanylidene-7-oxabicyclo[3.2.1]octan-2-yl] benzoate Openeye Name: (5-hydroxy-3-isobutyl-6-oxo-7-oxabicyclo[3.2.1]octan-2-yl) benzoate CAS Name: benzoic acid [5-hydroxy-3-(2-methylpropyl)-6-oxo-7-oxabicyclo[3.2.1]octan-2-yl] ester IUPAC Name: [5-hydroxy-3-(2-methylpropyl)-6-oxo-7-oxabicyclo[3.2.1]octan-2-yl] benzoate Traditional Name: benzoic acid (5-hydroxy-3-isobutyl-6-keto-7-oxabicyclo[3.2.1]octan-2-yl) ester Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC2(CC(C1OC(=O)C3=CC=CC=C3)OC2=O)O

Isomeric SMILES

CC(C)CC1CC2(CC(C1OC(=O)C3=CC=CC=C3)OC2=O)O

InChI

InChI=1S/C18H22O5/c1-11(2)8-13-9-18(21)10-14(22-17(18)20)15(13)23-16(19)12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3