4-oxidanylidene-5-prop-2-ynyl-nonanoic acid

Systemtic Name: 4-oxidanylidene-5-prop-2-ynyl-nonanoic acid Openeye Name: 4-oxo-5-prop-2-ynyl-nonanoic acid CAS Name: 4-oxo-5-prop-2-ynylnonanoic acid IUPAC Name: 4-oxo-5-prop-2-ynylnonanoic acid Traditional Name: 5-butyl-4-keto-oct-7-ynoic acid Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC#C)C(=O)CCC(=O)O

Isomeric SMILES

CCCCC(CC#C)C(=O)CCC(=O)O

InChI

InChI=1S/C12H18O3/c1-3-5-7-10(6-4-2)11(13)8-9-12(14)15/h2,10H,3,5-9H2,1H3,(H,14,15)