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

Systemtic Name: ethyl 2,5,5-triphenyl-1,3-dioxane-2-carboxylate; 2,5,5-triphenyl-1,3-dioxane-2-carboxylic acid Openeye Name: ethyl 2,5,5-triphenyl-1,3-dioxane-2-carboxylate; 2,5,5-triphenyl-1,3-dioxane-2-carboxylic acid CAS Name: 2,5,5-triphenyl-1,3-dioxane-2-carboxylic acid; 2,5,5-triphenyl-1,3-dioxane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5,5-triphenyl-1,3-dioxane-2-carboxylate; 2,5,5-triphenyl-1,3-dioxane-2-carboxylic acid Traditional Name: 2,5,5-triphenyl-1,3-dioxane-2-carboxylic acid; 2,5,5-triphenyl-1,3-dioxane-2-carboxylic acid ethyl ester Formula: C48H44O8 MolecularWeight: 748.85816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(OCC(CO1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1C(COC(O1)(C2=CC=CC=C2)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(OCC(CO1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1C(COC(O1)(C2=CC=CC=C2)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24O4.C23H20O4/c1-2-27-23(26)25(22-16-10-5-11-17-22)28-18-24(19-29-25,20-12-6-3-7-13-20)21-14-8-4-9-15-21;24-21(25)23(20-14-8-3-9-15-20)26-16-22(17-27-23,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h3-17H,2,18-19H2,1H3;1-15H,16-17H2,(H,24,25)