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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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