4-[(1S,2S)-4-(1,3-dioxan-2-yl)-2-methyl-1-oxidanyl-3-oxidanylidene-butyl]benzenecarbonitrile

Systemtic Name: 4-[(1S,2S)-4-(1,3-dioxan-2-yl)-2-methyl-1-oxidanyl-3-oxidanylidene-butyl]benzenecarbonitrile Openeye Name: 4-[(1S,2S)-4-(1,3-dioxan-2-yl)-1-hydroxy-2-methyl-3-oxo-butyl]benzonitrile CAS Name: 4-[(1S,2S)-4-(1,3-dioxan-2-yl)-1-hydroxy-2-methyl-3-oxobutyl]benzonitrile IUPAC Name: 4-[(1S,2S)-4-(1,3-dioxan-2-yl)-1-hydroxy-2-methyl-3-oxobutyl]benzonitrile Traditional Name: 4-[(1S,2S)-4-(1,3-dioxan-2-yl)-1-hydroxy-3-keto-2-methyl-butyl]benzonitrile Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)C#N)O)C(=O)CC2OCCCO2

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)C#N)O)C(=O)CC2OCCCO2

InChI

InChI=1S/C16H19NO4/c1-11(14(18)9-15-20-7-2-8-21-15)16(19)13-5-3-12(10-17)4-6-13/h3-6,11,15-16,19H,2,7-9H2,1H3/t11-,16+/m1/s1