(4R,5S,6R)-4-(iodanylmethyl)-5-methyl-6-(4-phenylmethoxybutyl)-1,3-dioxan-2-one

Systemtic Name: (4R,5S,6R)-4-(iodanylmethyl)-5-methyl-6-(4-phenylmethoxybutyl)-1,3-dioxan-2-one Openeye Name: (4R,5S,6R)-4-(4-benzyloxybutyl)-6-(iodomethyl)-5-methyl-1,3-dioxan-2-one CAS Name: (4R,5S,6R)-4-(iodomethyl)-5-methyl-6-(4-phenylmethoxybutyl)-1,3-dioxan-2-one IUPAC Name: (4R,5S,6R)-4-(iodomethyl)-5-methyl-6-(4-phenylmethoxybutyl)-1,3-dioxan-2-one Traditional Name: (4R,5S,6R)-4-(4-benzoxybutyl)-6-(iodomethyl)-5-methyl-1,3-dioxan-2-one Formula: C17H23IO4 MolecularWeight: 418.26659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)OC1CI)CCCCOCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@H](OC(=O)O[C@H]1CI)CCCCOCC2=CC=CC=C2

InChI

InChI=1S/C17H23IO4/c1-13-15(21-17(19)22-16(13)11-18)9-5-6-10-20-12-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16-/m0/s1