[3-(4-ethanoylphenyl)-1-[(2R,3S)-3-phenyloxiran-2-yl]prop-2-ynyl] ethanoate

Systemtic Name: [3-(4-ethanoylphenyl)-1-[(2R,3S)-3-phenyloxiran-2-yl]prop-2-ynyl] ethanoate Openeye Name: [3-(4-acetylphenyl)-1-[(2R,3S)-3-phenyloxiran-2-yl]prop-2-ynyl] acetate CAS Name: acetic acid [3-(4-acetylphenyl)-1-[(2R,3S)-3-phenyl-2-oxiranyl]prop-2-ynyl] ester IUPAC Name: [3-(4-acetylphenyl)-1-[(2R,3S)-3-phenyloxiran-2-yl]prop-2-ynyl] acetate Traditional Name: acetic acid [3-(4-acetylphenyl)-1-[(2R,3S)-3-phenyloxiran-2-yl]prop-2-ynyl] ester Formula: C21H18O4 MolecularWeight: 334.36522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C#CC(C2C(O2)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C#CC([C@H]2[C@@H](O2)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H18O4/c1-14(22)17-11-8-16(9-12-17)10-13-19(24-15(2)23)21-20(25-21)18-6-4-3-5-7-18/h3-9,11-12,19-21H,1-2H3/t19?,20-,21-/m0/s1