2-(2-oxidanylidenecyclopentyl)-3-propan-2-yl-hex-4-ynoic acid

Systemtic Name: 2-(2-oxidanylidenecyclopentyl)-3-propan-2-yl-hex-4-ynoic acid Openeye Name: 3-isopropyl-2-(2-oxocyclopentyl)hex-4-ynoic acid CAS Name: 2-(2-oxocyclopentyl)-3-propan-2-yl-4-hexynoic acid IUPAC Name: 2-(2-oxocyclopentyl)-3-propan-2-ylhex-4-ynoic acid Traditional Name: 3-isopropyl-2-(2-ketocyclopentyl)hex-4-ynoic acid Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C(C)C)C(C1CCCC1=O)C(=O)O

Isomeric SMILES

CC#CC(C(C)C)C(C1CCCC1=O)C(=O)O

InChI

InChI=1S/C14H20O3/c1-4-6-10(9(2)3)13(14(16)17)11-7-5-8-12(11)15/h9-11,13H,5,7-8H2,1-3H3,(H,16,17)