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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-mesyl-acrylonitrile Formula: C18H25NO3S MolecularWeight: 335.461

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S/c1-17(2,3)14-9-12(8-13(11-19)23(7,21)22)10-15(16(14)20)18(4,5)6/h8-10,20H,1-7H3/b13-8+