bis(4-tert-butylphenyl)-phenacyl-sulfanium; butan-2-yl-tris(4-fluorophenyl)boranuide

Systemtic Name: bis(4-tert-butylphenyl)-phenacyl-sulfanium; butan-2-yl-tris(4-fluorophenyl)boranuide Openeye Name: bis(4-tert-butylphenyl)-phenacyl-sulfonium; tris(4-fluorophenyl)-sec-butyl-boranuide CAS Name: bis(4-tert-butylphenyl)-phenacylsulfonium; butan-2-yl-tris(4-fluorophenyl)boranuide IUPAC Name: bis(4-tert-butylphenyl)-phenacylsulfanium; butan-2-yl-tris(4-fluorophenyl)boranuide Traditional Name: bis(4-tert-butylphenyl)-phenacyl-sulfonium; tris(4-fluorophenyl)-sec-butyl-boranuide Formula: C50H54BF3OS MolecularWeight: 770.83437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33OS.C22H21BF3/c1-27(2,3)22-12-16-24(17-13-22)30(20-26(29)21-10-8-7-9-11-21)25-18-14-23(15-19-25)28(4,5)6;1-3-16(2)23(17-4-10-20(24)11-5-17,18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h7-19H,20H2,1-6H3;4-16H,3H2,1-2H3/q+1;-1