[(2R,3R,4R,5S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-6-oxidanylidene-oxan-4-yl] benzoate

Systemtic Name: [(2R,3R,4R,5S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-6-oxidanylidene-oxan-4-yl] benzoate Openeye Name: [(2R,3R,4R,5S)-2-(2-methoxy-2-oxo-ethyl)-3,5-dimethyl-6-oxo-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S)-2-(2-methoxy-2-oxoethyl)-3,5-dimethyl-6-oxo-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S)-2-(2-methoxy-2-oxoethyl)-3,5-dimethyl-6-oxooxan-4-yl] benzoate Traditional Name: benzoic acid [(3S,4R,5R,6R)-2-keto-6-(2-keto-2-methoxy-ethyl)-3,5-dimethyl-tetrahydropyran-4-yl] ester Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C(C1OC(=O)C2=CC=CC=C2)C)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H20O6/c1-10-13(9-14(18)21-3)22-16(19)11(2)15(10)23-17(20)12-7-5-4-6-8-12/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11+,13-,15-/m1/s1