(E)-3-[3-tert-butyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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