3-(hydroxymethyl)-6,7-dimethoxy-8-oxidanyl-isochromen-1-one

Systemtic Name: 3-(hydroxymethyl)-6,7-dimethoxy-8-oxidanyl-isochromen-1-one Openeye Name: 8-hydroxy-3-(hydroxymethyl)-6,7-dimethoxy-isochromen-1-one CAS Name: 8-hydroxy-3-(hydroxymethyl)-6,7-dimethoxy-2-benzopyran-1-one IUPAC Name: 8-hydroxy-3-(hydroxymethyl)-6,7-dimethoxyisochromen-1-one Traditional Name: 8-hydroxy-6,7-dimethoxy-3-methylol-isocoumarin Formula: C12H12O6 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(OC2=O)CO)O)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(OC2=O)CO)O)OC

InChI

InChI=1S/C12H12O6/c1-16-8-4-6-3-7(5-13)18-12(15)9(6)10(14)11(8)17-2/h3-4,13-14H,5H2,1-2H3