[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 3-oxidanylidenebutanoate

Systemtic Name: [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 3-oxidanylidenebutanoate Openeye Name: [(4R,5R)-5-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid [(4R,5R)-5-(benzoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester Formula: C18H24O6 MolecularWeight: 336.37956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC1C(OC(O1)(C)C)COCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(=O)OC[C@@H]1[C@H](OC(O1)(C)C)COCC2=CC=CC=C2

InChI

InChI=1S/C18H24O6/c1-13(19)9-17(20)22-12-16-15(23-18(2,3)24-16)11-21-10-14-7-5-4-6-8-14/h4-8,15-16H,9-12H2,1-3H3/t15-,16-/m1/s1