4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanoic acid

Systemtic Name: 4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanoic acid Openeye Name: 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanoic acid CAS Name: 4-(4-iodo-3,5-dimethyl-1-pyrazolyl)butanoic acid IUPAC Name: 4-(4-iodo-3,5-dimethylpyrazol-1-yl)butanoic acid Traditional Name: 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butyric acid Formula: C9H13IN2O2 MolecularWeight: 308.11619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)O)C)I

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)O)C)I

InChI

InChI=1S/C9H13IN2O2/c1-6-9(10)7(2)12(11-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)