4-ethynylheptan-4-yl ethanoate

Systemtic Name: 4-ethynylheptan-4-yl ethanoate Openeye Name: (1-ethynyl-1-propyl-butyl) acetate CAS Name: acetic acid 4-ethynylheptan-4-yl ester IUPAC Name: 4-ethynylheptan-4-yl acetate Traditional Name: acetic acid 1,1-dipropylprop-2-ynyl ester Formula: C11H18O2 MolecularWeight: 182.25942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C#C)OC(=O)C

Isomeric SMILES

CCCC(CCC)(C#C)OC(=O)C

InChI

InChI=1S/C11H18O2/c1-5-8-11(7-3,9-6-2)13-10(4)12/h3H,5-6,8-9H2,1-2,4H3