ethanenitrile; 4-methylbenzenesulfonic acid; palladium

Systemtic Name: ethanenitrile; 4-methylbenzenesulfonic acid; palladium Openeye Name: acetonitrile; 4-methylbenzenesulfonic acid; palladium CAS Name: acetonitrile; 4-methylbenzenesulfonic acid; palladium IUPAC Name: acetonitrile; 4-methylbenzenesulfonic acid; palladium Traditional Name: acetonitrile; palladium; tosylic acid Formula: C18H22N2O6PdS2 MolecularWeight: 532.92708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.[Pd]

Isomeric SMILES

CC#N.CC#N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.[Pd]

InChI

InChI=1S/2C7H8O3S.2C2H3N.Pd/c2*1-6-2-4-7(5-3-6)11(8,9)10;2*1-2-3;/h2*2-5H,1H3,(H,8,9,10);2*1H3;