6-(2-methyl-3-phenylmethoxy-pent-4-yn-2-yl)-2-oxidanyl-4-oxidanylidene-pyran-3-carboxylic acid

Systemtic Name: 6-(2-methyl-3-phenylmethoxy-pent-4-yn-2-yl)-2-oxidanyl-4-oxidanylidene-pyran-3-carboxylic acid Openeye Name: 6-(2-benzyloxy-1,1-dimethyl-but-3-ynyl)-2-hydroxy-4-oxo-pyran-3-carboxylic acid CAS Name: 2-hydroxy-6-(2-methyl-3-phenylmethoxypent-4-yn-2-yl)-4-oxo-3-pyrancarboxylic acid IUPAC Name: 2-hydroxy-6-(2-methyl-3-phenylmethoxypent-4-yn-2-yl)-4-oxopyran-3-carboxylic acid Traditional Name: 6-(2-benzoxy-1,1-dimethyl-but-3-ynyl)-2-hydroxy-4-keto-pyran-3-carboxylic acid Formula: C19H18O6 MolecularWeight: 342.34262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=O)C(=C(O1)O)C(=O)O)C(C#C)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C1=CC(=O)C(=C(O1)O)C(=O)O)C(C#C)OCC2=CC=CC=C2

InChI

InChI=1S/C19H18O6/c1-4-14(24-11-12-8-6-5-7-9-12)19(2,3)15-10-13(20)16(17(21)22)18(23)25-15/h1,5-10,14,23H,11H2,2-3H3,(H,21,22)