5-hexoxy-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-hexoxy-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-hexoxy-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-hexoxy-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-hexoxy-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-hexoxy-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C12H20N2O3 MolecularWeight: 240.2988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=NN1C)C)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C(=NN1C)C)C(=O)O

InChI

InChI=1S/C12H20N2O3/c1-4-5-6-7-8-17-11-10(12(15)16)9(2)13-14(11)3/h4-8H2,1-3H3,(H,15,16)