bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 3-ethyl-3-(hydroxymethyl)pentanoic acid

Systemtic Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 3-ethyl-3-(hydroxymethyl)pentanoic acid Openeye Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 3-ethyl-3-(hydroxymethyl)pentanoic acid CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid; 3-ethyl-3-(hydroxymethyl)pentanoic acid IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 3-ethyl-3-(hydroxymethyl)pentanoic acid Traditional Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 3-ethyl-3-methylol-valeric acid Formula: C16H26O5 MolecularWeight: 298.37464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)O)CO.C1C2CC(C1C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)O)CO.C1C2CC(C1C=C2)C(=O)O

InChI

InChI=1S/C8H16O3.C8H10O2/c1-3-8(4-2,6-9)5-7(10)11;9-8(10)7-4-5-1-2-6(7)3-5/h9H,3-6H2,1-2H3,(H,10,11);1-2,5-7H,3-4H2,(H,9,10)