6-[2-ethyl-4-(2-oxidanylethanoyl)phenoxy]-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-[2-ethyl-4-(2-oxidanylethanoyl)phenoxy]-2,2-dimethyl-hexanenitrile Openeye Name: 6-[2-ethyl-4-(2-hydroxyacetyl)phenoxy]-2,2-dimethyl-hexanenitrile CAS Name: 6-[2-ethyl-4-(2-hydroxy-1-oxoethyl)phenoxy]-2,2-dimethylhexanenitrile IUPAC Name: 6-[2-ethyl-4-(2-hydroxyacetyl)phenoxy]-2,2-dimethylhexanenitrile Traditional Name: 6-(2-ethyl-4-glycoloyl-phenoxy)-2,2-dimethyl-hexanenitrile Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3/c1-4-14-11-15(16(21)12-20)7-8-17(14)22-10-6-5-9-18(2,3)13-19/h7-8,11,20H,4-6,9-10,12H2,1-3H3