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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(furan-2-ylmethylsulfonyl)prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2-furylmethylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2-furanylmethylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(furan-2-ylmethylsulfonyl)prop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2-furfurylsulfonyl)acrylonitrile Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)CC2=CC=CO2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)CC2=CC=CO2

InChI

InChI=1S/C22H27NO4S/c1-21(2,3)18-11-15(12-19(20(18)24)22(4,5)6)10-17(13-23)28(25,26)14-16-8-7-9-27-16/h7-12,24H,14H2,1-6H3/b17-10+