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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)S(=O)(=O)C)OC)OC

Isomeric SMILES

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

InChI

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