(E)-2-(cyclopropylmethylsulfonyl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(cyclopropylmethylsulfonyl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(cyclopropylmethylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(cyclopropylmethylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(cyclopropylmethylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(cyclopropylmethylsulfonyl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acrylonitrile Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)CC2CC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)CC2CC2

InChI

InChI=1S/C21H29NO3S/c1-20(2,3)17-10-15(11-18(19(17)23)21(4,5)6)9-16(12-22)26(24,25)13-14-7-8-14/h9-11,14,23H,7-8,13H2,1-6H3/b16-9+