6-butylsulfanyl-1,3,5-tris(trifluoromethylsulfonyl)cyclohexa-1,3-diene

Systemtic Name: 6-butylsulfanyl-1,3,5-tris(trifluoromethylsulfonyl)cyclohexa-1,3-diene Openeye Name: 6-butylsulfanyl-1,3,5-tris(trifluoromethylsulfonyl)cyclohexa-1,3-diene CAS Name: 6-(butylthio)-1,3,5-tris(trifluoromethylsulfonyl)cyclohexa-1,3-diene IUPAC Name: 6-butylsulfanyl-1,3,5-tris(trifluoromethylsulfonyl)cyclohexa-1,3-diene Traditional Name: 6-(butylthio)-1,3,5-tritriflyl-cyclohexa-1,3-diene Formula: C13H13F9O6S4 MolecularWeight: 564.484349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1C(C=C(C=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCSC1C(C=C(C=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H13F9O6S4/c1-2-3-4-29-10-8(31(25,26)12(17,18)19)5-7(30(23,24)11(14,15)16)6-9(10)32(27,28)13(20,21)22/h5-6,8,10H,2-4H2,1H3