[(2S,3S)-2-(3,3-dimethyl-2-oxidanylidene-butyl)-5-oxidanylidene-oxolan-3-yl] benzoate

Systemtic Name: [(2S,3S)-2-(3,3-dimethyl-2-oxidanylidene-butyl)-5-oxidanylidene-oxolan-3-yl] benzoate Openeye Name: [(2S,3S)-2-(3,3-dimethyl-2-oxo-butyl)-5-oxo-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxo-3-oxolanyl] ester IUPAC Name: [(2S,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S)-5-keto-2-(2-keto-3,3-dimethyl-butyl)tetrahydrofuran-3-yl] ester Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1C(CC(=O)O1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C[C@H]1[C@H](CC(=O)O1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O5/c1-17(2,3)14(18)9-12-13(10-15(19)21-12)22-16(20)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3/t12-,13-/m0/s1