3-butyl-3-ethanoyl-2-oxidanylidene-heptanoic acid

Systemtic Name: 3-butyl-3-ethanoyl-2-oxidanylidene-heptanoic acid Openeye Name: 3-acetyl-3-butyl-2-oxo-heptanoic acid CAS Name: 3-acetyl-3-butyl-2-oxoheptanoic acid IUPAC Name: 3-acetyl-3-butyl-2-oxoheptanoic acid Traditional Name: 3-acetyl-3-butyl-2-keto-enanthic acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)C)C(=O)C(=O)O

Isomeric SMILES

CCCCC(CCCC)(C(=O)C)C(=O)C(=O)O

InChI

InChI=1S/C13H22O4/c1-4-6-8-13(10(3)14,9-7-5-2)11(15)12(16)17/h4-9H2,1-3H3,(H,16,17)