bromanylpalladium(1+); tert-butylbenzene; tris(2-methylphenyl)phosphane

Systemtic Name: bromanylpalladium(1+); tert-butylbenzene; tris(2-methylphenyl)phosphane Openeye Name: bromopalladium(1+); tert-butylbenzene; tris-o-tolylphosphane CAS Name: bromopalladium(1+); tert-butylbenzene; tris(2-methylphenyl)phosphine IUPAC Name: bromopalladium(1+); tert-butylbenzene; tris(2-methylphenyl)phosphane Traditional Name: bromopalladium(1+); tert-butylbenzene; tris-o-tolylphosphine Formula: C62H68Br2P2Pd2 MolecularWeight: 1247.798842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC(C)(C)C1=CC=[C-]C=C1.CC(C)(C)C1=CC=[C-]C=C1.Br[Pd+].Br[Pd+]

Isomeric SMILES

CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC(C)(C)C1=CC=[C-]C=C1.CC(C)(C)C1=CC=[C-]C=C1.Br[Pd+].Br[Pd+]

InChI

InChI=1S/2C21H21P.2C10H13.2BrH.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2*1-10(2,3)9-7-5-4-6-8-9;;;;/h2*4-15H,1-3H3;2*5-8H,1-3H3;2*1H;;/q;;2*-1;;;2*+2/p-2