[(4S,6R)-6-(2-methoxy-2-oxidanylidene-ethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl benzoate

Systemtic Name: [(4S,6R)-6-(2-methoxy-2-oxidanylidene-ethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl benzoate Openeye Name: [(4S,6R)-6-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl benzoate CAS Name: benzoic acid [(4S,6R)-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl ester IUPAC Name: [(4S,6R)-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl benzoate Traditional Name: benzoic acid [(4S,6R)-6-(2-keto-2-methoxy-ethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl ester Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(CC(O1)COC(=O)C2=CC=CC=C2)CC(=O)OC)C

Isomeric SMILES

CC1(O[C@H](C[C@H](O1)COC(=O)C2=CC=CC=C2)CC(=O)OC)C

InChI

InChI=1S/C17H22O6/c1-17(2)22-13(10-15(18)20-3)9-14(23-17)11-21-16(19)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+/m1/s1