4-(5-octyl-6-oxidanylidene-oxan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-octyl-6-oxidanylidene-oxan-2-yl)benzenecarbonitrile Openeye Name: 4-(5-octyl-6-oxo-tetrahydropyran-2-yl)benzonitrile CAS Name: 4-(5-octyl-6-oxo-2-oxanyl)benzonitrile IUPAC Name: 4-(5-octyl-6-oxooxan-2-yl)benzonitrile Traditional Name: 4-(6-keto-5-octyl-tetrahydropyran-2-yl)benzonitrile Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H27NO2/c1-2-3-4-5-6-7-8-18-13-14-19(23-20(18)22)17-11-9-16(15-21)10-12-17/h9-12,18-19H,2-8,13-14H2,1H3