(5-methyl-8-oxidanylidene-1-phenylmethoxy-non-3-yn-5-yl) benzoate

Systemtic Name: (5-methyl-8-oxidanylidene-1-phenylmethoxy-non-3-yn-5-yl) benzoate Openeye Name: [5-benzyloxy-1-methyl-1-(3-oxobutyl)pent-2-ynyl] benzoate CAS Name: benzoic acid (5-methyl-8-oxo-1-phenylmethoxynon-3-yn-5-yl) ester IUPAC Name: (5-methyl-8-oxo-1-phenylmethoxynon-3-yn-5-yl) benzoate Traditional Name: benzoic acid [5-benzoxy-1-(3-ketobutyl)-1-methyl-pent-2-ynyl] ester Formula: C24H26O4 MolecularWeight: 378.46084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C)(C#CCCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCC(C)(C#CCCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H26O4/c1-20(25)15-17-24(2,28-23(26)22-13-7-4-8-14-22)16-9-10-18-27-19-21-11-5-3-6-12-21/h3-8,11-14H,10,15,17-19H2,1-2H3