2-methyl-5-[7-(2-methyl-4-methylidene-5-oxidanylidene-oxolan-2-yl)heptoxy]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[7-(2-methyl-4-methylidene-5-oxidanylidene-oxolan-2-yl)heptoxy]pyrazole-3-carboxylic acid Openeye Name: 2-methyl-5-[7-(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)heptoxy]pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-[7-(2-methyl-4-methylene-5-oxo-2-oxolanyl)heptoxy]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-5-[7-(2-methyl-4-methylidene-5-oxooxolan-2-yl)heptoxy]pyrazole-3-carboxylic acid Traditional Name: 5-[7-(5-keto-2-methyl-4-methylene-tetrahydrofuran-2-yl)heptoxy]-2-methyl-pyrazole-3-carboxylic acid Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C)C(=O)O1)CCCCCCCOC2=NN(C(=C2)C(=O)O)C

Isomeric SMILES

CC1(CC(=C)C(=O)O1)CCCCCCCOC2=NN(C(=C2)C(=O)O)C

InChI

InChI=1S/C18H26N2O5/c1-13-12-18(2,25-17(13)23)9-7-5-4-6-8-10-24-15-11-14(16(21)22)20(3)19-15/h11H,1,4-10,12H2,2-3H3,(H,21,22)