tris(2-methyl-2-phenyl-propyl)stannyl 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: tris(2-methyl-2-phenyl-propyl)stannyl 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylate Openeye Name: tris(2-methyl-2-phenyl-propyl)stannyl 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-methyl-5-phenoxy-1-phenyl-4-pyrazolecarboxylic acid tris(2-methyl-2-phenylpropyl)stannyl ester IUPAC Name: tris(2-methyl-2-phenylpropyl)stannyl 3-methyl-5-phenoxy-1-phenylpyrazole-4-carboxylate Traditional Name: 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid trineophylstannyl ester Formula: C47H52N2O3Sn MolecularWeight: 811.63738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O[Sn](CC(C)(C)C2=CC=CC=C2)(CC(C)(C)C3=CC=CC=C3)CC(C)(C)C4=CC=CC=C4)OC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[Sn](CC(C)(C)C2=CC=CC=C2)(CC(C)(C)C3=CC=CC=C3)CC(C)(C)C4=CC=CC=C4)OC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C17H14N2O3.3C10H13.Sn/c1-12-15(17(20)21)16(22-14-10-6-3-7-11-14)19(18-12)13-8-4-2-5-9-13;3*1-10(2,3)9-7-5-4-6-8-9;/h2-11H,1H3,(H,20,21);3*4-8H,1H2,2-3H3;/q;;;;+1/p-1