tetraphenylboranuide; tributyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium

Systemtic Name: tetraphenylboranuide; tributyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium Openeye Name: (4-benzoylphenyl)methyl-tributyl-ammonium; tetraphenylboranuide CAS Name: (4-benzoylphenyl)methyl-tributylammonium; tetraphenylboranuide IUPAC Name: (4-benzoylphenyl)methyl-tributylazanium; tetraphenylboranuide Traditional Name: (4-benzoylbenzyl)-tributyl-ammonium; tetraphenylboranuide Formula: C50H58BNO MolecularWeight: 699.81262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38NO.C24H20B/c1-4-7-19-27(20-8-5-2,21-9-6-3)22-23-15-17-25(18-16-23)26(28)24-13-11-10-12-14-24;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h10-18H,4-9,19-22H2,1-3H3;1-20H/q+1;-1