3-(4-phenoxyphenyl)hex-1-yn-3-yl ethanoate

Systemtic Name: 3-(4-phenoxyphenyl)hex-1-yn-3-yl ethanoate Openeye Name: [1-ethynyl-1-(4-phenoxyphenyl)butyl] acetate CAS Name: acetic acid 3-(4-phenoxyphenyl)hex-1-yn-3-yl ester IUPAC Name: 3-(4-phenoxyphenyl)hex-1-yn-3-yl acetate Traditional Name: acetic acid [1-(4-phenoxyphenyl)-1-propyl-prop-2-ynyl] ester Formula: C20H20O3 MolecularWeight: 308.371

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)(C1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCC(C#C)(C1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C20H20O3/c1-4-15-20(5-2,23-16(3)21)17-11-13-19(14-12-17)22-18-9-7-6-8-10-18/h2,6-14H,4,15H2,1,3H3