3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin

Systemtic Name: 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin Openeye Name: 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin CAS Name: 3-methyl-5-phenoxy-1-phenyl-4-pyrazolecarboxylic acid; tris(2-methyl-2-phenylpropyl)tin IUPAC Name: 3-methyl-5-phenoxy-1-phenylpyrazole-4-carboxylic acid; tris(2-methyl-2-phenylpropyl)tin Traditional Name: 3-methyl-5-phenoxy-1-phenyl-pyrazole-4-carboxylic acid; trineophyltin Formula: C47H53N2O3Sn MolecularWeight: 812.64532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OC2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

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;