(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium; triphenylphosphane

Systemtic Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium; triphenylphosphane Openeye Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium; triphenylphosphane CAS Name: (1E,4E)-1,5-diphenyl-3-penta-1,4-dienone; palladium; triphenylphosphine IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium; triphenylphosphane Traditional Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium; triphenylphosphine Formula: C70H58O2P2Pd MolecularWeight: 1099.575842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.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.[Pd]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.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.[Pd]

InChI

InChI=1S/2C18H15P.2C17H14O.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-15H;2*1-14H;/b;;2*13-11+,14-12+;