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

Systemtic Name: 4-(5-heptyl-6-oxidanylidene-oxan-2-yl)benzenecarbonitrile Openeye Name: 4-(5-heptyl-6-oxo-tetrahydropyran-2-yl)benzonitrile CAS Name: 4-(5-heptyl-6-oxo-2-oxanyl)benzonitrile IUPAC Name: 4-(5-heptyl-6-oxooxan-2-yl)benzonitrile Traditional Name: 4-(5-heptyl-6-keto-tetrahydropyran-2-yl)benzonitrile Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H25NO2/c1-2-3-4-5-6-7-17-12-13-18(22-19(17)21)16-10-8-15(14-20)9-11-16/h8-11,17-18H,2-7,12-13H2,1H3