(6-methyl-5-oxidanyl-5-propan-2-yl-hept-3-yn-2-yl) ethanoate

Systemtic Name: (6-methyl-5-oxidanyl-5-propan-2-yl-hept-3-yn-2-yl) ethanoate Openeye Name: (4-hydroxy-4-isopropyl-1,5-dimethyl-hex-2-ynyl) acetate CAS Name: acetic acid (5-hydroxy-6-methyl-5-propan-2-ylhept-3-yn-2-yl) ester IUPAC Name: (5-hydroxy-6-methyl-5-propan-2-ylhept-3-yn-2-yl) acetate Traditional Name: acetic acid (4-hydroxy-4-isopropyl-1,5-dimethyl-hex-2-ynyl) ester Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC(C)OC(=O)C)(C(C)C)O

Isomeric SMILES

CC(C)C(C#CC(C)OC(=O)C)(C(C)C)O

InChI

InChI=1S/C13H22O3/c1-9(2)13(15,10(3)4)8-7-11(5)16-12(6)14/h9-11,15H,1-6H3