(4-cyanophenyl) 2-(4-hexylphenyl)-1,3-dioxane-5-carboxylate

Systemtic Name: (4-cyanophenyl) 2-(4-hexylphenyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 2-(4-hexylphenyl)-1,3-dioxane-5-carboxylate CAS Name: 2-(4-hexylphenyl)-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-(4-hexylphenyl)-1,3-dioxane-5-carboxylate Traditional Name: 2-(4-hexylphenyl)-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2OCC(CO2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2OCC(CO2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27NO4/c1-2-3-4-5-6-18-7-11-20(12-8-18)24-27-16-21(17-28-24)23(26)29-22-13-9-19(15-25)10-14-22/h7-14,21,24H,2-6,16-17H2,1H3