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

Systemtic Name: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-mesyl-acrylonitrile Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C12H13NO5S/c1-17-10-5-8(6-11(18-2)12(10)14)4-9(7-13)19(3,15)16/h4-6,14H,1-3H3/b9-4+