(E)-3-(3,5-dimethoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-2-mesyl-acrylonitrile Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C(C#N)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C(\C#N)/S(=O)(=O)C)OC

InChI

InChI=1S/C12H13NO4S/c1-16-10-4-9(5-11(7-10)17-2)6-12(8-13)18(3,14)15/h4-7H,1-3H3/b12-6+