6-[2-(hydroxymethyl)-4-oxidanyl-butoxy]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[2-(hydroxymethyl)-4-oxidanyl-butoxy]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-hydroxy-2-(hydroxymethyl)butoxy]carbonylcyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-hydroxy-2-(hydroxymethyl)butoxy]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-hydroxy-2-(hydroxymethyl)butoxy]carbonylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(4-hydroxy-2-methylol-butoxy)carbonylcyclohex-3-ene-1-carboxylic acid Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)O)C(=O)OCC(CCO)CO

Isomeric SMILES

C1C=CCC(C1C(=O)O)C(=O)OCC(CCO)CO

InChI

InChI=1S/C13H20O6/c14-6-5-9(7-15)8-19-13(18)11-4-2-1-3-10(11)12(16)17/h1-2,9-11,14-15H,3-8H2,(H,16,17)