ethyl 6-oxidanyl-4-oxidanylidene-2-(2-oxidanylidenepropyl)-5-(phenylmethyl)pyran-3-carboxylate

Systemtic Name: ethyl 6-oxidanyl-4-oxidanylidene-2-(2-oxidanylidenepropyl)-5-(phenylmethyl)pyran-3-carboxylate Openeye Name: ethyl 2-acetonyl-5-benzyl-6-hydroxy-4-oxo-pyran-3-carboxylate CAS Name: 6-hydroxy-4-oxo-2-(2-oxopropyl)-5-(phenylmethyl)-3-pyrancarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-6-hydroxy-4-oxo-2-(2-oxopropyl)pyran-3-carboxylate Traditional Name: 2-acetonyl-5-benzyl-6-hydroxy-4-keto-pyran-3-carboxylic acid ethyl ester Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1=O)CC2=CC=CC=C2)O)CC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1=O)CC2=CC=CC=C2)O)CC(=O)C

InChI

InChI=1S/C18H18O6/c1-3-23-18(22)15-14(9-11(2)19)24-17(21)13(16(15)20)10-12-7-5-4-6-8-12/h4-8,21H,3,9-10H2,1-2H3