2-[5-[2,5-bis(chloranyl)phenyl]-1-hexyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-[2,5-bis(chloranyl)phenyl]-1-hexyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[5-(2,5-dichlorophenyl)-1-hexyl-pyrazol-4-yl]acetic acid CAS Name: 2-[5-(2,5-dichlorophenyl)-1-hexyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[5-(2,5-dichlorophenyl)-1-hexylpyrazol-4-yl]acetic acid Traditional Name: 2-[5-(2,5-dichlorophenyl)-1-hexyl-pyrazol-4-yl]acetic acid Formula: C17H20Cl2N2O2 MolecularWeight: 355.2589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C=N1)CC(=O)O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCCCN1C(=C(C=N1)CC(=O)O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H20Cl2N2O2/c1-2-3-4-5-8-21-17(12(11-20-21)9-16(22)23)14-10-13(18)6-7-15(14)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,22,23)