4-[bis(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[bis(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(2-hydroxy-6-oxo-cyclohexen-1-yl)methyl]benzonitrile CAS Name: 4-[bis(2-hydroxy-6-oxo-1-cyclohexenyl)methyl]benzonitrile IUPAC Name: 4-[bis(2-hydroxy-6-oxocyclohexen-1-yl)methyl]benzonitrile Traditional Name: 4-[bis(2-hydroxy-6-keto-cyclohexen-1-yl)methyl]benzonitrile Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(C2=CC=C(C=C2)C#N)C3=C(CCCC3=O)O)O

Isomeric SMILES

C1CC(=C(C(=O)C1)C(C2=CC=C(C=C2)C#N)C3=C(CCCC3=O)O)O

InChI

InChI=1S/C20H19NO4/c21-11-12-7-9-13(10-8-12)18(19-14(22)3-1-4-15(19)23)20-16(24)5-2-6-17(20)25/h7-10,18,22,24H,1-6H2