5,5-diphenyl-1,3-dioxane-2-carboxylic acid; ethyl 5,5-diphenyl-1,3-dioxane-2-carboxylate

Systemtic Name: 5,5-diphenyl-1,3-dioxane-2-carboxylic acid; ethyl 5,5-diphenyl-1,3-dioxane-2-carboxylate Openeye Name: 5,5-diphenyl-1,3-dioxane-2-carboxylic acid; ethyl 5,5-diphenyl-1,3-dioxane-2-carboxylate CAS Name: 5,5-diphenyl-1,3-dioxane-2-carboxylic acid; 5,5-diphenyl-1,3-dioxane-2-carboxylic acid ethyl ester IUPAC Name: 5,5-diphenyl-1,3-dioxane-2-carboxylic acid; ethyl 5,5-diphenyl-1,3-dioxane-2-carboxylate Traditional Name: 5,5-diphenyl-1,3-dioxane-2-carboxylic acid; 5,5-diphenyl-1,3-dioxane-2-carboxylic acid ethyl ester Formula: C36H36O8 MolecularWeight: 596.66624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1OCC(CO1)(C2=CC=CC=C2)C3=CC=CC=C3.C1C(COC(O1)C(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1OCC(CO1)(C2=CC=CC=C2)C3=CC=CC=C3.C1C(COC(O1)C(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H20O4.C17H16O4/c1-2-21-17(20)18-22-13-19(14-23-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16;18-15(19)16-20-11-17(12-21-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h3-12,18H,2,13-14H2,1H3;1-10,16H,11-12H2,(H,18,19)