4-[4-[[(1S,2R,4R,5S)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]oxy]phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[(1S,2R,4R,5S)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]oxy]phenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[[(1S,2R,4R,5S)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]oxy]benzoyl]benzonitrile CAS Name: 4-[[4-[[(1S,2R,4R,5S)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]oxy]phenyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[[(1S,2R,4R,5S)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]oxy]benzoyl]benzonitrile Traditional Name: 4-[4-[[(1S,2R,4R,5S)-2-methylol-3,6-dioxabicyclo[3.1.0]hexan-4-yl]oxy]benzoyl]benzonitrile Formula: C19H15NO5 MolecularWeight: 337.3261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)OC3C4C(O4)C(O3)CO

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)O[C@@H]3[C@@H]4[C@@H](O4)[C@H](O3)CO

InChI

InChI=1S/C19H15NO5/c20-9-11-1-3-12(4-2-11)16(22)13-5-7-14(8-6-13)23-19-18-17(25-18)15(10-21)24-19/h1-8,15,17-19,21H,10H2/t15-,17+,18+,19+/m1/s1