5-[4-(5-cyano-2-methyl-pentan-2-yl)-2,5-bis(oxidanyl)phenyl]-5-methyl-hexanenitrile

Systemtic Name: 5-[4-(5-cyano-2-methyl-pentan-2-yl)-2,5-bis(oxidanyl)phenyl]-5-methyl-hexanenitrile Openeye Name: 5-[4-(4-cyano-1,1-dimethyl-butyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanenitrile CAS Name: 5-[4-(5-cyano-2-methylpentan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanenitrile IUPAC Name: 5-[4-(5-cyano-2-methylpentan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanenitrile Traditional Name: 5-[4-(4-cyano-1,1-dimethyl-butyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanenitrile Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2/c1-19(2,9-5-7-11-21)15-13-18(24)16(14-17(15)23)20(3,4)10-6-8-12-22/h13-14,23-24H,5-10H2,1-4H3