2-(2-carboxyethyl)-4-methyl-5-propyl-furan-3-carboxylic acid

Systemtic Name: 2-(2-carboxyethyl)-4-methyl-5-propyl-furan-3-carboxylic acid Openeye Name: 2-(2-carboxyethyl)-4-methyl-5-propyl-furan-3-carboxylic acid CAS Name: 2-(2-carboxyethyl)-4-methyl-5-propyl-3-furancarboxylic acid IUPAC Name: 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid Traditional Name: 2-(2-carboxyethyl)-4-methyl-5-propyl-3-furoic acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C

Isomeric SMILES

CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C

InChI

InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)