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

Systemtic Name: 5-chloranyl-3-ethyl-1-methyl-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin Openeye Name: 5-chloro-3-ethyl-1-methyl-pyrazole-4-carboxylic acid; tris(2-methyl-2-phenyl-propyl)tin CAS Name: 5-chloro-3-ethyl-1-methyl-4-pyrazolecarboxylic acid; tris(2-methyl-2-phenylpropyl)tin IUPAC Name: 5-chloro-3-ethyl-1-methylpyrazole-4-carboxylic acid; tris(2-methyl-2-phenylpropyl)tin Traditional Name: 5-chloro-3-ethyl-1-methyl-pyrazole-4-carboxylic acid; trineophyltin Formula: C37H48ClN2O2Sn MolecularWeight: 706.95222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)Cl)C.CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)CC(C)(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)Cl)C.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/3C10H13.C7H9ClN2O2.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-3-4-5(7(11)12)6(8)10(2)9-4;/h3*4-8H,1H2,2-3H3;3H2,1-2H3,(H,11,12);