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

Systemtic Name: 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylic acid; triphenyltin Openeye Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid; triphenyltin CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid; triphenyltin IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-carboxylic acid; triphenyltin Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid; triphenyltin Formula: C24H22ClN2O2Sn MolecularWeight: 524.60668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7ClN2O2.3C6H5.Sn/c1-3-4(6(10)11)5(7)9(2)8-3;3*1-2-4-6-5-3-1;/h1-2H3,(H,10,11);3*1-5H;