4-[4-(4-methyl-4-oxidanyl-2-oxidanylidene-oxan-3-yl)butyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-methyl-4-oxidanyl-2-oxidanylidene-oxan-3-yl)butyl]benzenecarbonitrile Openeye Name: 4-[4-(4-hydroxy-4-methyl-2-oxo-tetrahydropyran-3-yl)butyl]benzonitrile CAS Name: 4-[4-(4-hydroxy-4-methyl-2-oxo-3-oxanyl)butyl]benzonitrile IUPAC Name: 4-[4-(4-hydroxy-4-methyl-2-oxooxan-3-yl)butyl]benzonitrile Traditional Name: 4-[4-(4-hydroxy-2-keto-4-methyl-tetrahydropyran-3-yl)butyl]benzonitrile Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC(=O)C1CCCCC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC1(CCOC(=O)C1CCCCC2=CC=C(C=C2)C#N)O

InChI

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