1-[2,5-bis(chloranyl)phenyl]-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2,5-dichlorophenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(2,5-dichlorophenyl)-3-hex-3-enyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,5-dichlorophenyl)-3-hex-3-enyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(2,5-dichlorophenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C22H20Cl2N2O2 MolecularWeight: 415.3124

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O2/c1-2-3-4-8-11-18-20(22(27)28)21(15-9-6-5-7-10-15)26(25-18)19-14-16(23)12-13-17(19)24/h3-7,9-10,12-14H,2,8,11H2,1H3,(H,27,28)