4-(6-nonyloxan-3-yl)benzenecarbonitrile

Systemtic Name: 4-(6-nonyloxan-3-yl)benzenecarbonitrile Openeye Name: 4-(6-nonyltetrahydropyran-3-yl)benzonitrile CAS Name: 4-(6-nonyl-3-oxanyl)benzonitrile IUPAC Name: 4-(6-nonyloxan-3-yl)benzonitrile Traditional Name: 4-(6-nonyltetrahydropyran-3-yl)benzonitrile Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CO1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCC1CCC(CO1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H31NO/c1-2-3-4-5-6-7-8-9-21-15-14-20(17-23-21)19-12-10-18(16-22)11-13-19/h10-13,20-21H,2-9,14-15,17H2,1H3