6-oxidanyl-4-oxidanylidene-2-(2-oxidanylidenepropyl)-5-(phenylmethyl)pyran-3-carboxylic acid

Systemtic Name: 6-oxidanyl-4-oxidanylidene-2-(2-oxidanylidenepropyl)-5-(phenylmethyl)pyran-3-carboxylic acid Openeye Name: 2-acetonyl-5-benzyl-6-hydroxy-4-oxo-pyran-3-carboxylic acid CAS Name: 6-hydroxy-4-oxo-2-(2-oxopropyl)-5-(phenylmethyl)-3-pyrancarboxylic acid IUPAC Name: 5-benzyl-6-hydroxy-4-oxo-2-(2-oxopropyl)pyran-3-carboxylic acid Traditional Name: 2-acetonyl-5-benzyl-6-hydroxy-4-keto-pyran-3-carboxylic acid Formula: C16H14O6 MolecularWeight: 302.27876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C(=O)C(=C(O1)O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)CC1=C(C(=O)C(=C(O1)O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H14O6/c1-9(17)7-12-13(15(19)20)14(18)11(16(21)22-12)8-10-5-3-2-4-6-10/h2-6,21H,7-8H2,1H3,(H,19,20)