(6-oxidanylidene-3-phenylmethoxycarbonyl-hex-4-yn-3-yl) benzoate

Systemtic Name: (6-oxidanylidene-3-phenylmethoxycarbonyl-hex-4-yn-3-yl) benzoate Openeye Name: (1-benzyloxycarbonyl-1-ethyl-4-oxo-but-2-ynyl) benzoate CAS Name: benzoic acid (6-oxo-3-phenylmethoxycarbonylhex-4-yn-3-yl) ester IUPAC Name: (6-oxo-3-phenylmethoxycarbonylhex-4-yn-3-yl) benzoate Traditional Name: benzoic acid (1-carbobenzoxy-1-ethyl-4-keto-but-2-ynyl) ester Formula: C21H18O5 MolecularWeight: 350.36462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC=O)(C(=O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C#CC=O)(C(=O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H18O5/c1-2-21(14-9-15-22,26-19(23)18-12-7-4-8-13-18)20(24)25-16-17-10-5-3-6-11-17/h3-8,10-13,15H,2,16H2,1H3