(4S,5R,6R)-2,2,5-trimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxane-4-carbaldehyde

Systemtic Name: (4S,5R,6R)-2,2,5-trimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxane-4-carbaldehyde Openeye Name: (4S,5R,6R)-6-(3-benzyloxypropyl)-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde CAS Name: (4S,5R,6R)-2,2,5-trimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxane-4-carboxaldehyde IUPAC Name: (4S,5R,6R)-2,2,5-trimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxane-4-carbaldehyde Traditional Name: (4S,5R,6R)-6-(3-benzoxypropyl)-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde Formula: C18H26O4 MolecularWeight: 306.39664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(OC1C=O)(C)C)CCCOCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@H](OC(O[C@@H]1C=O)(C)C)CCCOCC2=CC=CC=C2

InChI

InChI=1S/C18H26O4/c1-14-16(21-18(2,3)22-17(14)12-19)10-7-11-20-13-15-8-5-4-6-9-15/h4-6,8-9,12,14,16-17H,7,10-11,13H2,1-3H3/t14-,16-,17-/m1/s1