7-[4-ethanoyl-2-(hydroxymethyl)-5-oxidanyl-phenoxy]heptanenitrile

Systemtic Name: 7-[4-ethanoyl-2-(hydroxymethyl)-5-oxidanyl-phenoxy]heptanenitrile Openeye Name: 7-[4-acetyl-5-hydroxy-2-(hydroxymethyl)phenoxy]heptanenitrile CAS Name: 7-[4-acetyl-5-hydroxy-2-(hydroxymethyl)phenoxy]heptanenitrile IUPAC Name: 7-[4-acetyl-5-hydroxy-2-(hydroxymethyl)phenoxy]heptanenitrile Traditional Name: 7-(4-acetyl-5-hydroxy-2-methylol-phenoxy)enanthonitrile Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1O)OCCCCCCC#N)CO

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1O)OCCCCCCC#N)CO

InChI

InChI=1S/C16H21NO4/c1-12(19)14-9-13(11-18)16(10-15(14)20)21-8-6-4-2-3-5-7-17/h9-10,18,20H,2-6,8,11H2,1H3