(5,5-dimethyl-1-phenylmethoxy-non-2-yn-4-yl) ethanoate

Systemtic Name: (5,5-dimethyl-1-phenylmethoxy-non-2-yn-4-yl) ethanoate Openeye Name: [1-(3-benzyloxyprop-1-ynyl)-2,2-dimethyl-hexyl] acetate CAS Name: acetic acid (5,5-dimethyl-1-phenylmethoxynon-2-yn-4-yl) ester IUPAC Name: (5,5-dimethyl-1-phenylmethoxynon-2-yn-4-yl) acetate Traditional Name: acetic acid [4-benzoxy-1-(1,1-dimethylpentyl)but-2-ynyl] ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C#CCOCC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(C#CCOCC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C20H28O3/c1-5-6-14-20(3,4)19(23-17(2)21)13-10-15-22-16-18-11-8-7-9-12-18/h7-9,11-12,19H,5-6,14-16H2,1-4H3