[dimethyl-[[2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl]azaniumyl]boron

Systemtic Name: [dimethyl-[[2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl]azaniumyl]boron Openeye Name: [dimethyl-[[2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl]ammonio]boron CAS Name: [dimethyl-[[2-[(4-methyl-2-nitrophenyl)thio]phenyl]methyl]ammonio]boron IUPAC Name: [dimethyl-[[2-(4-methyl-2-nitrophenyl)sulfanylphenyl]methyl]azaniumyl]boron Traditional Name: [dimethyl-[2-[(4-methyl-2-nitro-phenyl)thio]benzyl]ammonio]boron Formula: C16H18BN2O2S+ MolecularWeight: 313.20232

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Descriptors Computed from Structure

Canonical SMILES:

[B][N+](C)(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

[B][N+](C)(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18BN2O2S/c1-12-8-9-16(14(10-12)18(20)21)22-15-7-5-4-6-13(15)11-19(2,3)17/h4-10H,11H2,1-3H3/q+1