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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)OC1CCCCC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1C(CC(=O)OC1CCCCC2=CC=C(C=C2)C#N)O

InChI

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