(4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxy-hexyl]-1,3-dioxane

Systemtic Name: (4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxy-hexyl]-1,3-dioxane Openeye Name: (4R,5S)-4-[(4S)-4-benzyloxy-5-methyl-hexyl]-2,2,5-trimethyl-1,3-dioxane CAS Name: (4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxyhexyl]-1,3-dioxane IUPAC Name: (4R,5S)-2,2,5-trimethyl-4-[(4S)-5-methyl-4-phenylmethoxyhexyl]-1,3-dioxane Traditional Name: (4R,5S)-4-[(4S)-4-benzoxy-5-methyl-hexyl]-2,2,5-trimethyl-1,3-dioxane Formula: C21H34O3 MolecularWeight: 334.49286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COC(OC1CCCC(C(C)C)OCC2=CC=CC=C2)(C)C

Isomeric SMILES

C[C@H]1COC(O[C@@H]1CCC[C@@H](C(C)C)OCC2=CC=CC=C2)(C)C

InChI

InChI=1S/C21H34O3/c1-16(2)19(22-15-18-10-7-6-8-11-18)12-9-13-20-17(3)14-23-21(4,5)24-20/h6-8,10-11,16-17,19-20H,9,12-15H2,1-5H3/t17-,19-,20+/m0/s1