chloranylpalladium(1+); (4-methylphenyl)methanone; triphenylphosphane

Systemtic Name: chloranylpalladium(1+); (4-methylphenyl)methanone; triphenylphosphane Openeye Name: chloropalladium(1+); p-tolylmethanone; triphenylphosphane CAS Name: chloropalladium(1+); (4-methylphenyl)methanone; triphenylphosphine IUPAC Name: chloropalladium(1+); (4-methylphenyl)methanone; triphenylphosphane Traditional Name: chloropalladium(1+); p-tolylmethanone; triphenylphosphine Formula: C44H37ClOP2Pd MolecularWeight: 785.584502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd+]

Isomeric SMILES

CC1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd+]

InChI

InChI=1S/2C18H15P.C8H7O.ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-2-4-8(6-9)5-3-7;;/h2*1-15H;2-5H,1H3;1H;/q;;-1;;+2/p-1