6-methyl-3-(3-methylbutanoyl)-4-oxidanylidene-heptanoic acid

Systemtic Name: 6-methyl-3-(3-methylbutanoyl)-4-oxidanylidene-heptanoic acid Openeye Name: 6-methyl-3-(3-methylbutanoyl)-4-oxo-heptanoic acid CAS Name: 6-methyl-3-(3-methyl-1-oxobutyl)-4-oxoheptanoic acid IUPAC Name: 6-methyl-3-(3-methylbutanoyl)-4-oxoheptanoic acid Traditional Name: 3-isovaleryl-4-keto-6-methyl-enanthic acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(CC(=O)O)C(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)C(CC(=O)O)C(=O)CC(C)C

InChI

InChI=1S/C13H22O4/c1-8(2)5-11(14)10(7-13(16)17)12(15)6-9(3)4/h8-10H,5-7H2,1-4H3,(H,16,17)