(E)-3-[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]prop-2-enenitrile

Systemtic Name: (E)-3-[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]prop-2-enenitrile Openeye Name: (E)-3-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]prop-2-enenitrile CAS Name: (E)-3-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]-2-propenenitrile IUPAC Name: (E)-3-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-3-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]acrylonitrile Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)/C=C/C#N

InChI

InChI=1S/C21H31NO/c1-7-11-20(3,4)17-14-16(10-9-13-22)15-18(19(17)23)21(5,6)12-8-2/h9-10,14-15,23H,7-8,11-12H2,1-6H3/b10-9+