6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2,2-dimethyl-hexanenitrile Openeye Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2,2-dimethyl-hexanenitrile CAS Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2,2-dimethylhexanenitrile IUPAC Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2,2-dimethylhexanenitrile Traditional Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2,2-dimethyl-hexanenitrile Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC(C)(C)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC(C)(C)C#N

InChI

InChI=1S/C19H27NO3/c1-5-8-16-17(10-9-15(14(2)21)18(16)22)23-12-7-6-11-19(3,4)13-20/h9-10,22H,5-8,11-12H2,1-4H3