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

Systemtic Name: (E)-3-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-[3-(trifluoromethyl)benzyl]sulfonyl-acrylonitrile Formula: C17H11BrF3NO4S MolecularWeight: 462.23775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)C(=CC2=CC(=C(C(=C2)Br)O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)O)/C#N

InChI

InChI=1S/C17H11BrF3NO4S/c18-14-6-11(7-15(23)16(14)24)5-13(8-22)27(25,26)9-10-2-1-3-12(4-10)17(19,20)21/h1-7,23-24H,9H2/b13-5+