(7,7-diethoxy-2,2-dimethyl-6-oxidanylidene-hept-4-yn-3-yl) benzoate

Systemtic Name: (7,7-diethoxy-2,2-dimethyl-6-oxidanylidene-hept-4-yn-3-yl) benzoate Openeye Name: (1-tert-butyl-5,5-diethoxy-4-oxo-pent-2-ynyl) benzoate CAS Name: benzoic acid (7,7-diethoxy-2,2-dimethyl-6-oxohept-4-yn-3-yl) ester IUPAC Name: (7,7-diethoxy-2,2-dimethyl-6-oxohept-4-yn-3-yl) benzoate Traditional Name: benzoic acid (1-tert-butyl-5,5-diethoxy-4-keto-pent-2-ynyl) ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)C#CC(C(C)(C)C)OC(=O)C1=CC=CC=C1)OCC

Isomeric SMILES

CCOC(C(=O)C#CC(C(C)(C)C)OC(=O)C1=CC=CC=C1)OCC

InChI

InChI=1S/C20H26O5/c1-6-23-19(24-7-2)16(21)13-14-17(20(3,4)5)25-18(22)15-11-9-8-10-12-15/h8-12,17,19H,6-7H2,1-5H3