6-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-hexanenitrile Openeye Name: 6-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-hexanenitrile CAS Name: 6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylhexanenitrile IUPAC Name: 6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylhexanenitrile Traditional Name: 6-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-hexanenitrile Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC(C)(C)C#N

InChI

InChI=1S/C18H25NO3/c1-5-14-10-15(13(2)20)16(21)11-17(14)22-9-7-6-8-18(3,4)12-19/h10-11,21H,5-9H2,1-4H3