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

Systemtic Name: (E)-3-[3-tert-butyl-5-(2-methylhexan-2-yl)-4-oxidanyl-phenyl]prop-2-enenitrile Openeye Name: (E)-3-[3-tert-butyl-5-(1,1-dimethylpentyl)-4-hydroxy-phenyl]prop-2-enenitrile CAS Name: (E)-3-[3-tert-butyl-4-hydroxy-5-(2-methylhexan-2-yl)phenyl]-2-propenenitrile IUPAC Name: (E)-3-[3-tert-butyl-4-hydroxy-5-(2-methylhexan-2-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-3-[3-tert-butyl-5-(1,1-dimethylpentyl)-4-hydroxy-phenyl]acrylonitrile Formula: C20H29NO MolecularWeight: 299.45036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO/c1-7-8-11-20(5,6)17-14-15(10-9-12-21)13-16(18(17)22)19(2,3)4/h9-10,13-14,22H,7-8,11H2,1-6H3/b10-9+