1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; triphenyltin

Systemtic Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; triphenyltin Openeye Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; triphenyltin CAS Name: 1,3-dimethyl-5-phenoxy-4-pyrazolecarboxylic acid; triphenyltin IUPAC Name: 1,3-dimethyl-5-phenoxypyrazole-4-carboxylic acid; triphenyltin Traditional Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carboxylic acid; triphenyltin Formula: C30H27N2O3Sn MolecularWeight: 582.25698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3.3C6H5.Sn/c1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9;3*1-2-4-6-5-3-1;/h3-7H,1-2H3,(H,15,16);3*1-5H;