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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(2-ethoxyethylsulfonyl)prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2-ethoxyethylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2-ethoxyethylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2-ethoxyethylsulfonyl)prop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2-ethoxyethylsulfonyl)acrylonitrile Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCS(=O)(=O)C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C#N

Isomeric SMILES

CCOCCS(=O)(=O)/C(=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C#N

InChI

InChI=1S/C21H31NO4S/c1-8-26-9-10-27(24,25)16(14-22)11-15-12-17(20(2,3)4)19(23)18(13-15)21(5,6)7/h11-13,23H,8-10H2,1-7H3/b16-11+