chloranylpalladium(1+); phenyl-[phenyl(phenylmethyl)phosphanyl]methanone

Systemtic Name: chloranylpalladium(1+); phenyl-[phenyl(phenylmethyl)phosphanyl]methanone Openeye Name: chloropalladium(1+); phenyl-[phenyl(phenylmethyl)phosphanyl]methanone CAS Name: chloropalladium(1+); phenyl-[phenyl(phenylmethyl)phosphino]methanone IUPAC Name: chloropalladium(1+); phenyl-[phenyl(phenylmethyl)phosphanyl]methanone Traditional Name: [benzyl(phenyl)phosphino]-phenyl-methanone; chloropalladium(1+) Formula: C40H32Cl2O2P2Pd2 MolecularWeight: 890.374402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)P(CC2=C[C-]=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)P(CC2=C[C-]=CC=C2)C3=CC=CC=C3.Cl[Pd+].Cl[Pd+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)P(CC2=C[C-]=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)P(CC2=C[C-]=CC=C2)C3=CC=CC=C3.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/2C20H16OP.2ClH.2Pd/c2*21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;;;;/h2*1-4,6-15H,16H2;2*1H;;/q2*-1;;;2*+2/p-2