4-[1-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)butyl]benzenecarbonitrile

Systemtic Name: 4-[1-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)butyl]benzenecarbonitrile Openeye Name: 4-[1-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)butyl]benzonitrile CAS Name: 4-[1-(4-hydroxy-6-oxo-2-oxanyl)butyl]benzonitrile IUPAC Name: 4-[1-(4-hydroxy-6-oxooxan-2-yl)butyl]benzonitrile Traditional Name: 4-[1-(4-hydroxy-6-keto-tetrahydropyran-2-yl)butyl]benzonitrile Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC(CC(=O)O1)O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC(C1CC(CC(=O)O1)O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19NO3/c1-2-3-14(12-6-4-11(10-17)5-7-12)15-8-13(18)9-16(19)20-15/h4-7,13-15,18H,2-3,8-9H2,1H3