magnesium tris(4-methylphenyl)-phenethyl-boranuide

Systemtic Name: magnesium tris(4-methylphenyl)-phenethyl-boranuide Openeye Name: magnesium phenethyl(tris-p-tolyl)boranuide CAS Name: magnesium tris(4-methylphenyl)-phenethylboranuide IUPAC Name: magnesium tris(4-methylphenyl)-phenethylboranuide Traditional Name: magnesium phenethyl(tris-p-tolyl)boranuide Formula: C58H60B2Mg MolecularWeight: 803.024

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CCC1=CC=CC=C1)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[B-](CCC1=CC=CC=C1)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[Mg+2]

Isomeric SMILES

[B-](CCC1=CC=CC=C1)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[B-](CCC1=CC=CC=C1)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[Mg+2]

InChI

InChI=1S/2C29H30B.Mg/c2*1-23-9-15-27(16-10-23)30(28-17-11-24(2)12-18-28,29-19-13-25(3)14-20-29)22-21-26-7-5-4-6-8-26;/h2*4-20H,21-22H2,1-3H3;/q2*-1;+2