methyl 3,6-bis(oxidanylidene)-2-pentyl-heptanoate

Systemtic Name: methyl 3,6-bis(oxidanylidene)-2-pentyl-heptanoate Openeye Name: methyl 3,6-dioxo-2-pentyl-heptanoate CAS Name: 3,6-dioxo-2-pentylheptanoic acid methyl ester IUPAC Name: methyl 3,6-dioxo-2-pentylheptanoate Traditional Name: 2-amyl-3,6-diketo-enanthic acid methyl ester Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)CCC(=O)C)C(=O)OC

Isomeric SMILES

CCCCCC(C(=O)CCC(=O)C)C(=O)OC

InChI

InChI=1S/C13H22O4/c1-4-5-6-7-11(13(16)17-3)12(15)9-8-10(2)14/h11H,4-9H2,1-3H3