magnesium tris(3,4-diethylphenyl)-octyl-boranuide

Systemtic Name: magnesium tris(3,4-diethylphenyl)-octyl-boranuide Openeye Name: magnesium tris(3,4-diethylphenyl)-octyl-boranuide CAS Name: magnesium tris(3,4-diethylphenyl)-octylboranuide IUPAC Name: magnesium tris(3,4-diethylphenyl)-octylboranuide Traditional Name: magnesium tris(3,4-diethylphenyl)-octyl-boranuide Formula: C76H112B2Mg MolecularWeight: 1071.62948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C38H56B.Mg/c2*1-8-15-16-17-18-19-26-39(36-23-20-30(9-2)33(12-5)27-36,37-24-21-31(10-3)34(13-6)28-37)38-25-22-32(11-4)35(14-7)29-38;/h2*20-25,27-29H,8-19,26H2,1-7H3;/q2*-1;+2