4-chloranyl-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylic acid Formula: C13H12Cl2N2O3 MolecularWeight: 315.15198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C13H12Cl2N2O3/c1-7-3-9(4-8(2)11(7)15)20-6-17-5-10(14)12(16-17)13(18)19/h3-5H,6H2,1-2H3,(H,18,19)