5-methyl-4,7-bis(oxidanylidene)octanoic acid

Systemtic Name: 5-methyl-4,7-bis(oxidanylidene)octanoic acid Openeye Name: 5-methyl-4,7-dioxo-octanoic acid CAS Name: 5-methyl-4,7-dioxooctanoic acid IUPAC Name: 5-methyl-4,7-dioxooctanoic acid Traditional Name: 4,7-diketo-5-methyl-caprylic acid Formula: C9H14O4 MolecularWeight: 186.20506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O4/c1-6(5-7(2)10)8(11)3-4-9(12)13/h6H,3-5H2,1-2H3,(H,12,13)