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

Systemtic Name: bis(4-tert-butylphenyl)-phenacyl-sulfanium; butan-2-yl(triphenyl)boranuide Openeye Name: bis(4-tert-butylphenyl)-phenacyl-sulfonium; triphenyl(sec-butyl)boranuide CAS Name: bis(4-tert-butylphenyl)-phenacylsulfonium; butan-2-yl(triphenyl)boranuide IUPAC Name: bis(4-tert-butylphenyl)-phenacylsulfanium; butan-2-yl(triphenyl)boranuide Traditional Name: bis(4-tert-butylphenyl)-phenacyl-sulfonium; triphenyl(sec-butyl)boranuide Formula: C50H57BOS MolecularWeight: 716.86298

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)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=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)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.C22H24B/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;1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h7-19H,20H2,1-6H3;4-19H,3H2,1-2H3/q+1;-1