2-(3-methylbutanoyl)-3-(2-methylpropyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 2-(3-methylbutanoyl)-3-(2-methylpropyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-isobutyl-2-(3-methylbutanoyl)-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-2-(3-methyl-1-oxobutyl)-3-(2-methylpropyl)-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-2-(3-methylbutanoyl)-3-(2-methylpropyl)-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-3-isobutyl-2-isovaleryl-5-keto-2-furoic acid Formula: C14H20O6 MolecularWeight: 284.305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=O)OC1(C(=O)CC(C)C)C(=O)O)O

Isomeric SMILES

CC(C)CC1=C(C(=O)OC1(C(=O)CC(C)C)C(=O)O)O

InChI

InChI=1S/C14H20O6/c1-7(2)5-9-11(16)12(17)20-14(9,13(18)19)10(15)6-8(3)4/h7-8,16H,5-6H2,1-4H3,(H,18,19)