2-[2,2-dimethyl-6-(phenylcarbonyloxymethyl)-1,3-dioxan-4-yl]ethanoic acid

Systemtic Name: 2-[2,2-dimethyl-6-(phenylcarbonyloxymethyl)-1,3-dioxan-4-yl]ethanoic acid Openeye Name: 2-[6-(benzoyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid CAS Name: 2-[6-(benzoyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid IUPAC Name: 2-[6-(benzoyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid Traditional Name: 2-[6-(benzoyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid Formula: C16H20O6 MolecularWeight: 308.3264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6/c1-16(2)21-12(9-14(17)18)8-13(22-16)10-20-15(19)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,17,18)