6-(hydroxymethyl)-3-oxidanyl-2-(phenylmethyl)pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-(phenylmethyl)pyran-4-one Openeye Name: 2-benzyl-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-(phenylmethyl)-4-pyranone IUPAC Name: 2-benzyl-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-benzyl-3-hydroxy-6-methylol-pyran-4-one Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C13H12O4/c14-8-10-7-11(15)13(16)12(17-10)6-9-4-2-1-3-5-9/h1-5,7,14,16H,6,8H2