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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pent-4-enylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pent-4-enylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-pent-4-enylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-pent-4-enylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pent-4-enylsulfonyl-acrylonitrile Formula: C22H31NO3S MolecularWeight: 389.55144

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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)CCCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3S/c1-8-9-10-11-27(25,26)17(15-23)12-16-13-18(21(2,3)4)20(24)19(14-16)22(5,6)7/h8,12-14,24H,1,9-11H2,2-7H3/b17-12+