6-(hydroxymethyl)-8-methoxy-2-oxidanyl-9-oxidanylidene-xanthene-1-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-8-methoxy-2-oxidanyl-9-oxidanylidene-xanthene-1-carboxylic acid Openeye Name: 2-hydroxy-6-(hydroxymethyl)-8-methoxy-9-oxo-xanthene-1-carboxylic acid CAS Name: 2-hydroxy-6-(hydroxymethyl)-8-methoxy-9-oxo-1-xanthenecarboxylic acid IUPAC Name: 2-hydroxy-6-(hydroxymethyl)-8-methoxy-9-oxoxanthene-1-carboxylic acid Traditional Name: 2-hydroxy-9-keto-8-methoxy-6-methylol-xanthene-1-carboxylic acid Formula: C16H12O7 MolecularWeight: 316.26228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1C(=O)C3=C(O2)C=CC(=C3C(=O)O)O)CO

Isomeric SMILES

COC1=CC(=CC2=C1C(=O)C3=C(O2)C=CC(=C3C(=O)O)O)CO

InChI

InChI=1S/C16H12O7/c1-22-10-4-7(6-17)5-11-13(10)15(19)14-9(23-11)3-2-8(18)12(14)16(20)21/h2-5,17-18H,6H2,1H3,(H,20,21)