4-[(1R)-1-oxidanyl-3-oxidanylidene-pentyl]benzenecarbonitrile

Systemtic Name: 4-[(1R)-1-oxidanyl-3-oxidanylidene-pentyl]benzenecarbonitrile Openeye Name: 4-[(1R)-1-hydroxy-3-oxo-pentyl]benzonitrile CAS Name: 4-[(1R)-1-hydroxy-3-oxopentyl]benzonitrile IUPAC Name: 4-[(1R)-1-hydroxy-3-oxopentyl]benzonitrile Traditional Name: 4-[(1R)-1-hydroxy-3-keto-pentyl]benzonitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCC(=O)C[C@H](C1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C12H13NO2/c1-2-11(14)7-12(15)10-5-3-9(8-13)4-6-10/h3-6,12,15H,2,7H2,1H3/t12-/m1/s1