1-isocyano-4-methyl-benzene; 4-methylbenzenethiolate; palladium(2+); triphenylphosphane

Systemtic Name: 1-isocyano-4-methyl-benzene; 4-methylbenzenethiolate; palladium(2+); triphenylphosphane Openeye Name: 1-isocyano-4-methyl-benzene; 4-methylbenzenethiolate; palladium(2+); triphenylphosphane CAS Name: 1-isocyano-4-methylbenzene; 4-methylbenzenethiolate; palladium(2+); triphenylphosphine IUPAC Name: 1-isocyano-4-methylbenzene; 4-methylbenzenethiolate; palladium(2+); triphenylphosphane Traditional Name: 1-isocyano-4-methyl-benzene; 4-methylbenzenethiolate; palladium(2+); triphenylphosphine Formula: C40H36NPPdS2 MolecularWeight: 732.244301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

InChI

InChI=1S/C18H15P.C8H7N.2C7H8S.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-3-5-8(9-2)6-4-7;2*1-6-2-4-7(8)5-3-6;/h1-15H;3-6H,1H3;2*2-5,8H,1H3;/q;;;;+2/p-2