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

Systemtic Name: 4-[4-(4-oxidanyl-2-oxidanylidene-oxan-3-yl)butyl]benzenecarbonitrile Openeye Name: 4-[4-(4-hydroxy-2-oxo-tetrahydropyran-3-yl)butyl]benzonitrile CAS Name: 4-[4-(4-hydroxy-2-oxo-3-oxanyl)butyl]benzonitrile IUPAC Name: 4-[4-(4-hydroxy-2-oxooxan-3-yl)butyl]benzonitrile Traditional Name: 4-[4-(4-hydroxy-2-keto-tetrahydropyran-3-yl)butyl]benzonitrile Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(C1O)CCCCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1COC(=O)C(C1O)CCCCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19NO3/c17-11-13-7-5-12(6-8-13)3-1-2-4-14-15(18)9-10-20-16(14)19/h5-8,14-15,18H,1-4,9-10H2