6-(4-ethanoylphenyl)-3-oxidanyl-hexanenitrile

Systemtic Name: 6-(4-ethanoylphenyl)-3-oxidanyl-hexanenitrile Openeye Name: 6-(4-acetylphenyl)-3-hydroxy-hexanenitrile CAS Name: 6-(4-acetylphenyl)-3-hydroxyhexanenitrile IUPAC Name: 6-(4-acetylphenyl)-3-hydroxyhexanenitrile Traditional Name: 6-(4-acetylphenyl)-3-hydroxy-hexanenitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CCCC(CC#N)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CCCC(CC#N)O

InChI

InChI=1S/C14H17NO2/c1-11(16)13-7-5-12(6-8-13)3-2-4-14(17)9-10-15/h5-8,14,17H,2-4,9H2,1H3