7-(2-tert-butyl-4-ethanoyl-5-oxidanyl-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(2-tert-butyl-4-ethanoyl-5-oxidanyl-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(4-acetyl-2-tert-butyl-5-hydroxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(4-acetyl-2-tert-butyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(4-acetyl-2-tert-butyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(4-acetyl-2-tert-butyl-5-hydroxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1O)OCCCCCC(C)(C)C#N)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1O)OCCCCCC(C)(C)C#N)C(C)(C)C

InChI

InChI=1S/C21H31NO3/c1-15(23)16-12-17(20(2,3)4)19(13-18(16)24)25-11-9-7-8-10-21(5,6)14-22/h12-13,24H,7-11H2,1-6H3