butan-2-yl(triphenyl)boranuide; (4-cyanophenyl)methyl-diphenyl-sulfanium

Systemtic Name: butan-2-yl(triphenyl)boranuide; (4-cyanophenyl)methyl-diphenyl-sulfanium Openeye Name: (4-cyanophenyl)methyl-diphenyl-sulfonium; triphenyl(sec-butyl)boranuide CAS Name: butan-2-yl(triphenyl)boranuide; (4-cyanophenyl)methyl-diphenylsulfonium IUPAC Name: butan-2-yl(triphenyl)boranuide; (4-cyanophenyl)methyl-diphenylsulfanium Traditional Name: (4-cyanobenzyl)-diphenyl-sulfonium; triphenyl(sec-butyl)boranuide Formula: C42H40BNS MolecularWeight: 601.6497

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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.C1=CC=C(C=C1)[S+](CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C(C)CC.C1=CC=C(C=C1)[S+](CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H24B.C20H16NS/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;21-15-17-11-13-18(14-12-17)16-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h4-19H,3H2,1-2H3;1-14H,16H2/q-1;+1