3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfanium

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-isopropylphenyl)sulfonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; tris(4-propan-2-ylphenyl)sulfanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; tris(p-cumenyl)sulfonium Formula: C35H36F6O3S2 MolecularWeight: 682.778959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)C)C3=CC=C(C=C3)C(C)C.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)C)C3=CC=C(C=C3)C(C)C.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C27H33S.C8H4F6O3S/c1-19(2)22-7-13-25(14-8-22)28(26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h7-21H,1-6H3;1-3H,(H,15,16,17)/q+1;/p-1