(E)-3-(2-chloranyl-4-oxidanyl-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-chloranyl-4-oxidanyl-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-chloro-4-hydroxy-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(2-chloro-4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(2-chloro-4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(2-chloro-4-hydroxy-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-acrylonitrile Formula: C16H9ClF3NO3S MolecularWeight: 387.76077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C(=CC2=C(C=C(C=C2)O)Cl)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)/C(=C/C2=C(C=C(C=C2)O)Cl)/C#N)C(F)(F)F

InChI

InChI=1S/C16H9ClF3NO3S/c17-15-8-12(22)5-4-10(15)6-14(9-21)25(23,24)13-3-1-2-11(7-13)16(18,19)20/h1-8,22H/b14-6+