1,4-dibutyldibenzo-p-dioxin-2-carbonitrile

Systemtic Name: 1,4-dibutyldibenzo-p-dioxin-2-carbonitrile Openeye Name: 1,4-dibutyldibenzo-p-dioxin-2-carbonitrile CAS Name: 1,4-dibutyl-2-dibenzo-p-dioxincarbonitrile IUPAC Name: 1,4-dibutyldibenzo-p-dioxin-2-carbonitrile Traditional Name: 1,4-dibutyldibenzo-p-dioxin-2-carbonitrile Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C(=C1)C#N)CCCC)OC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=C2C(=C(C(=C1)C#N)CCCC)OC3=CC=CC=C3O2

InChI

InChI=1S/C21H23NO2/c1-3-5-9-15-13-16(14-22)17(10-6-4-2)21-20(15)23-18-11-7-8-12-19(18)24-21/h7-8,11-13H,3-6,9-10H2,1-2H3