(4-nitrophenyl)methyl-phenyl-(4-phenylsulfanylphenyl)sulfanium; triphenyl-(phenylmethyl)boranuide

Systemtic Name: (4-nitrophenyl)methyl-phenyl-(4-phenylsulfanylphenyl)sulfanium; triphenyl-(phenylmethyl)boranuide Openeye Name: benzyl(triphenyl)boranuide; (4-nitrophenyl)methyl-phenyl-(4-phenylsulfanylphenyl)sulfonium CAS Name: (4-nitrophenyl)methyl-phenyl-[4-(phenylthio)phenyl]sulfonium; triphenyl-(phenylmethyl)boranuide IUPAC Name: benzyl(triphenyl)boranuide; (4-nitrophenyl)methyl-phenyl-(4-phenylsulfanylphenyl)sulfanium Traditional Name: benzyl(triphenyl)boranuide; (4-nitrobenzyl)-phenyl-[4-(phenylthio)phenyl]sulfonium Formula: C50H42BNO2S2 MolecularWeight: 763.81498

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CC1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

[B-](CC1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H22B.C25H20NO2S2/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;27-26(28)21-13-11-20(12-14-21)19-30(24-9-5-2-6-10-24)25-17-15-23(16-18-25)29-22-7-3-1-4-8-22/h1-20H,21H2;1-18H,19H2/q-1;+1