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

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-2-mesyl-acrylonitrile Formula: C12H12BrNO4S MolecularWeight: 346.19698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO4S/c1-17-11-5-8(10(13)6-12(11)18-2)4-9(7-14)19(3,15)16/h4-6H,1-3H3