(E)-3-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-2-(cyanomethylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-2-(cyanomethylsulfonyl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-(cyanomethylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-(cyanomethylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-(cyanomethylsulfonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-(cyanomethylsulfonyl)acrylonitrile Formula: C11H7BrN2O4S MolecularWeight: 343.15328

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)Br)C=C(C#N)S(=O)(=O)CC#N

Isomeric SMILES

C1=C(C=C(C(=C1O)O)Br)/C=C(\C#N)/S(=O)(=O)CC#N

InChI

InChI=1S/C11H7BrN2O4S/c12-9-4-7(5-10(15)11(9)16)3-8(6-14)19(17,18)2-1-13/h3-5,15-16H,2H2/b8-3+