(E)-2-methylsulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-methylsulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-methylsulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-methylsulfonyl-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-methylsulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-mesyl-3-(3,4,5-trimethoxyphenyl)acrylonitrile Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C13H15NO5S/c1-17-11-6-9(5-10(8-14)20(4,15)16)7-12(18-2)13(11)19-3/h5-7H,1-4H3/b10-5+