2-[2,6-dimethyl-4-(2-methylheptan-2-yl)-3-oxidanyl-phenyl]ethanenitrile

Systemtic Name: 2-[2,6-dimethyl-4-(2-methylheptan-2-yl)-3-oxidanyl-phenyl]ethanenitrile Openeye Name: 2-[4-(1,1-dimethylhexyl)-3-hydroxy-2,6-dimethyl-phenyl]acetonitrile CAS Name: 2-[3-hydroxy-2,6-dimethyl-4-(2-methylheptan-2-yl)phenyl]acetonitrile IUPAC Name: 2-[3-hydroxy-2,6-dimethyl-4-(2-methylheptan-2-yl)phenyl]acetonitrile Traditional Name: 2-[4-(1,1-dimethylhexyl)-3-hydroxy-2,6-dimethyl-phenyl]acetonitrile Formula: C18H27NO MolecularWeight: 273.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO/c1-6-7-8-10-18(4,5)16-12-13(2)15(9-11-19)14(3)17(16)20/h12,20H,6-10H2,1-5H3