(Z)-4-oxidanylpent-3-en-2-one; palladium; triphenylphosphane; perchlorate

Systemtic Name: (Z)-4-oxidanylpent-3-en-2-one; palladium; triphenylphosphane; perchlorate Openeye Name: (Z)-4-hydroxypent-3-en-2-one; palladium; triphenylphosphane; perchlorate CAS Name: (Z)-4-hydroxy-3-penten-2-one; palladium; triphenylphosphine; perchlorate IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; palladium; triphenylphosphane; perchlorate Traditional Name: (Z)-4-hydroxypent-3-en-2-one; palladium; triphenylphosphine; perchlorate Formula: C41H38ClO6P2Pd- MolecularWeight: 830.557342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)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.[O-]Cl(=O)(=O)=O.[Pd]

Isomeric SMILES

C/C(=C/C(=O)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.[O-]Cl(=O)(=O)=O.[Pd]

InChI

InChI=1S/2C18H15P.C5H8O2.ClHO4.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;2-1(3,4)5;/h2*1-15H;3,6H,1-2H3;(H,2,3,4,5);/p-1/b;;4-3-;;