4-[(S)-[(4S)-2,2-dimethyl-5-oxidanylidene-1,3-dioxan-4-yl]-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(S)-[(4S)-2,2-dimethyl-5-oxidanylidene-1,3-dioxan-4-yl]-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[(S)-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-hydroxy-methyl]benzonitrile CAS Name: 4-[(S)-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-hydroxymethyl]benzonitrile IUPAC Name: 4-[(S)-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-hydroxymethyl]benzonitrile Traditional Name: 4-[(S)-hydroxy-[(4S)-5-keto-2,2-dimethyl-1,3-dioxan-4-yl]methyl]benzonitrile Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(=O)C(O1)C(C2=CC=C(C=C2)C#N)O)C

Isomeric SMILES

CC1(OCC(=O)[C@@H](O1)[C@H](C2=CC=C(C=C2)C#N)O)C

InChI

InChI=1S/C14H15NO4/c1-14(2)18-8-11(16)13(19-14)12(17)10-5-3-9(7-15)4-6-10/h3-6,12-13,17H,8H2,1-2H3/t12-,13+/m0/s1