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

Systemtic Name: 7-[2-(chloromethyl)-4-ethanoyl-5-oxidanyl-phenoxy]heptanenitrile Openeye Name: 7-[4-acetyl-2-(chloromethyl)-5-hydroxy-phenoxy]heptanenitrile CAS Name: 7-[4-acetyl-2-(chloromethyl)-5-hydroxyphenoxy]heptanenitrile IUPAC Name: 7-[4-acetyl-2-(chloromethyl)-5-hydroxyphenoxy]heptanenitrile Traditional Name: 7-[4-acetyl-2-(chloromethyl)-5-hydroxy-phenoxy]enanthonitrile Formula: C16H20ClNO3 MolecularWeight: 309.7879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO3/c1-12(19)14-9-13(11-17)16(10-15(14)20)21-8-6-4-2-3-5-7-18/h9-10,20H,2-6,8,11H2,1H3