4-methylbenzenesulfonate; palladium; pyridine-2-carboxylic acid; triphenylphosphane

Systemtic Name: 4-methylbenzenesulfonate; palladium; pyridine-2-carboxylic acid; triphenylphosphane Openeye Name: 4-methylbenzenesulfonate; palladium; pyridine-2-carboxylic acid; triphenylphosphane CAS Name: 4-methylbenzenesulfonate; palladium; 2-pyridinecarboxylic acid; triphenylphosphine IUPAC Name: 4-methylbenzenesulfonate; palladium; pyridine-2-carboxylic acid; triphenylphosphane Traditional Name: palladium; picolinic acid; triphenylphosphine; tosylate Formula: C31H27NO5PPdS- MolecularWeight: 663.008541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15P.C7H8O3S.C6H5NO2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(5-3-6)11(8,9)10;8-6(9)5-3-1-2-4-7-5;/h1-15H;2-5H,1H3,(H,8,9,10);1-4H,(H,8,9);/p-1