(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-mesyl-acrylonitrile Formula: C11H10BrNO4S MolecularWeight: 332.1704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10BrNO4S/c1-17-10-5-7(4-9(12)11(10)14)3-8(6-13)18(2,15)16/h3-5,14H,1-2H3/b8-3+