6-[4-bromanyl-3-(trifluoromethyl)phenyl]-5-[4-(fluoranylmethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene

Systemtic Name: 6-[4-bromanyl-3-(trifluoromethyl)phenyl]-5-[4-(fluoranylmethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene Openeye Name: 6-[4-bromo-3-(trifluoromethyl)phenyl]-5-[4-(fluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene CAS Name: 6-[4-bromo-3-(trifluoromethyl)phenyl]-5-[4-(fluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene IUPAC Name: 6-[4-bromo-3-(trifluoromethyl)phenyl]-5-[4-(fluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene Traditional Name: 6-[4-bromo-3-(trifluoromethyl)phenyl]-5-[4-(fluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene Formula: C21H15BrF4O2S MolecularWeight: 487.305213

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Descriptors Computed from Structure

Canonical SMILES:

C1CC12C=C(C(=C2)C3=CC(=C(C=C3)Br)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)CF

Isomeric SMILES

C1CC12C=C(C(=C2)C3=CC(=C(C=C3)Br)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)CF

InChI

InChI=1S/C21H15BrF4O2S/c22-19-6-3-14(9-18(19)21(24,25)26)17-11-20(7-8-20)10-16(17)13-1-4-15(5-2-13)29(27,28)12-23/h1-6,9-11H,7-8,12H2