4-[4-(4-methyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl)butyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-methyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl)butyl]benzenecarbonitrile Openeye Name: 4-[4-(4-hydroxy-4-methyl-6-oxo-tetrahydropyran-2-yl)butyl]benzonitrile CAS Name: 4-[4-(4-hydroxy-4-methyl-6-oxo-2-oxanyl)butyl]benzonitrile IUPAC Name: 4-[4-(4-hydroxy-4-methyl-6-oxooxan-2-yl)butyl]benzonitrile Traditional Name: 4-[4-(4-hydroxy-6-keto-4-methyl-tetrahydropyran-2-yl)butyl]benzonitrile Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CCCCC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC1(CC(OC(=O)C1)CCCCC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C17H21NO3/c1-17(20)10-15(21-16(19)11-17)5-3-2-4-13-6-8-14(12-18)9-7-13/h6-9,15,20H,2-5,10-11H2,1H3