3-butyl-3-oxidanyl-6,6-diphenyl-1,2-dioxane-4-carbonitrile

Systemtic Name: 3-butyl-3-oxidanyl-6,6-diphenyl-1,2-dioxane-4-carbonitrile Openeye Name: 3-butyl-3-hydroxy-6,6-diphenyl-dioxane-4-carbonitrile CAS Name: 3-butyl-3-hydroxy-6,6-diphenyl-4-dioxanecarbonitrile IUPAC Name: 3-butyl-3-hydroxy-6,6-diphenyldioxane-4-carbonitrile Traditional Name: 3-butyl-3-hydroxy-6,6-diphenyl-dioxane-4-carbonitrile Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(CC(OO1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCCCC1(C(CC(OO1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C21H23NO3/c1-2-3-14-21(23)19(16-22)15-20(24-25-21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,23H,2-3,14-15H2,1H3