(6-chloranyl-3-methyl-hex-1-yn-3-yl) ethanoate

Systemtic Name: (6-chloranyl-3-methyl-hex-1-yn-3-yl) ethanoate Openeye Name: (4-chloro-1-ethynyl-1-methyl-butyl) acetate CAS Name: acetic acid (6-chloro-3-methylhex-1-yn-3-yl) ester IUPAC Name: (6-chloro-3-methylhex-1-yn-3-yl) acetate Traditional Name: acetic acid [1-(3-chloropropyl)-1-methyl-prop-2-ynyl] ester Formula: C9H13ClO2 MolecularWeight: 188.65132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13ClO2/c1-4-9(3,6-5-7-10)12-8(2)11/h1H,5-7H2,2-3H3