3-(2-ethanoyl-4-oxidanylidene-cyclopentyl)propanoic acid; heptanoic acid

Systemtic Name: 3-(2-ethanoyl-4-oxidanylidene-cyclopentyl)propanoic acid; heptanoic acid Openeye Name: 3-(2-acetyl-4-oxo-cyclopentyl)propanoic acid; heptanoic acid CAS Name: 3-(2-acetyl-4-oxocyclopentyl)propanoic acid; heptanoic acid IUPAC Name: 3-(2-acetyl-4-oxocyclopentyl)propanoic acid; heptanoic acid Traditional Name: 3-(2-acetyl-4-keto-cyclopentyl)propionic acid; enanthic acid Formula: C17H28O6 MolecularWeight: 328.40062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CC(=O)C1CC(=O)CC1CCC(=O)O

Isomeric SMILES

CCCCCCC(=O)O.CC(=O)C1CC(=O)CC1CCC(=O)O

InChI

InChI=1S/C10H14O4.C7H14O2/c1-6(11)9-5-8(12)4-7(9)2-3-10(13)14;1-2-3-4-5-6-7(8)9/h7,9H,2-5H2,1H3,(H,13,14);2-6H2,1H3,(H,8,9)