2-[[2-ethoxy-4-(hydroxymethyl)-6-iodanyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-ethoxy-4-(hydroxymethyl)-6-iodanyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-ethoxy-4-(hydroxymethyl)-6-iodo-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-ethoxy-4-(hydroxymethyl)-6-iodophenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-ethoxy-4-(hydroxymethyl)-6-iodophenoxy]methyl]benzonitrile Traditional Name: 2-[(2-ethoxy-6-iodo-4-methylol-phenoxy)methyl]benzonitrile Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CO)I)OCC2=CC=CC=C2C#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CO)I)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H16INO3/c1-2-21-16-8-12(10-20)7-15(18)17(16)22-11-14-6-4-3-5-13(14)9-19/h3-8,20H,2,10-11H2,1H3