1,5-diphenylpentan-3-one; palladium; tris(2-diphenylphosphinothioylethyl)-sulfanylidene-$l^{5}-phosphane

Systemtic Name: 1,5-diphenylpentan-3-one; palladium; tris(2-diphenylphosphinothioylethyl)-sulfanylidene-$l^{5}-phosphane Openeye Name: 1,5-diphenylpentan-3-one; palladium; tris(2-diphenylphosphinothioylethyl)-thioxo-$l^{5}-phosphane CAS Name: 1,5-diphenyl-3-pentanone; palladium; tris(2-diphenylphosphinothioylethyl)-sulfanylidenephosphorane IUPAC Name: 1,5-diphenylpentan-3-one; palladium; tris(2-diphenylphosphinothioylethyl)-sulfanylidene-$l^{5}-phosphane Traditional Name: 1,5-diphenylpentan-3-one; palladium; tris(2-diphenylthiophosphorylethyl)-thioxo-phosphorane Formula: C59H56OP4PdS4 MolecularWeight: 1139.650384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.C1=CC=C(C=C1)P(=S)(CCP(=S)(CCP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)CCP(=S)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Pd]

Isomeric SMILES

C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.C1=CC=C(C=C1)P(=S)(CCP(=S)(CCP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)CCP(=S)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Pd]

InChI

InChI=1S/C42H42P4S4.C17H14O.Pd/c47-43(31-34-44(48,37-19-7-1-8-20-37)38-21-9-2-10-22-38,32-35-45(49,39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(50,41-27-15-5-16-28-41)42-29-17-6-18-30-42;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-30H,31-36H2;1-14H;