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

Systemtic Name: (E)-3-[4-oxidanyl-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-3-[4-hydroxy-3,5-bis(1,1,3,3-tetramethylbutyl)phenyl]prop-2-enenitrile CAS Name: (E)-3-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-2-propenenitrile IUPAC Name: (E)-3-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-3-[4-hydroxy-3,5-bis(1,1,3,3-tetramethylbutyl)phenyl]acrylonitrile Formula: C25H39NO MolecularWeight: 369.58326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO/c1-22(2,3)16-24(7,8)19-14-18(12-11-13-26)15-20(21(19)27)25(9,10)17-23(4,5)6/h11-12,14-15,27H,16-17H2,1-10H3/b12-11+