3-methylpent-1-yn-3-yl 2-chloranyl-2-phenyl-ethanoate

Systemtic Name: 3-methylpent-1-yn-3-yl 2-chloranyl-2-phenyl-ethanoate Openeye Name: (1-ethyl-1-methyl-prop-2-ynyl) 2-chloro-2-phenyl-acetate CAS Name: 2-chloro-2-phenylacetic acid 3-methylpent-1-yn-3-yl ester IUPAC Name: 3-methylpent-1-yn-3-yl 2-chloro-2-phenylacetate Traditional Name: 2-chloro-2-phenyl-acetic acid (1-ethyl-1-methyl-prop-2-ynyl) ester Formula: C14H15ClO2 MolecularWeight: 250.7207

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OC(=O)C(C1=CC=CC=C1)Cl

Isomeric SMILES

CCC(C)(C#C)OC(=O)C(C1=CC=CC=C1)Cl

InChI

InChI=1S/C14H15ClO2/c1-4-14(3,5-2)17-13(16)12(15)11-9-7-6-8-10-11/h1,6-10,12H,5H2,2-3H3