5-(hydroxymethyl)-4-methoxy-3-methyl-6-[(E)-3-oxidanylprop-1-enyl]pyran-2-one

Systemtic Name: 5-(hydroxymethyl)-4-methoxy-3-methyl-6-[(E)-3-oxidanylprop-1-enyl]pyran-2-one Openeye Name: 5-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-4-methoxy-3-methyl-pyran-2-one CAS Name: 5-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-4-methoxy-3-methyl-2-pyranone IUPAC Name: 5-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-4-methoxy-3-methylpyran-2-one Traditional Name: 6-[(E)-3-hydroxyprop-1-enyl]-4-methoxy-3-methyl-5-methylol-pyran-2-one Formula: C11H14O5 MolecularWeight: 226.22586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(OC1=O)C=CCO)CO)OC

Isomeric SMILES

CC1=C(C(=C(OC1=O)/C=C/CO)CO)OC

InChI

InChI=1S/C11H14O5/c1-7-10(15-2)8(6-13)9(4-3-5-12)16-11(7)14/h3-4,12-13H,5-6H2,1-2H3/b4-3+