(E)-3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-hexylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-hexylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-hexylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hexylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hexylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-hexylsulfonyl-acrylonitrile Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3S/c1-6-7-8-9-10-25(23,24)17(14-21)12-16-11-15(2)19(22)18(13-16)20(3,4)5/h11-13,22H,6-10H2,1-5H3/b17-12+