methyl 2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-8a,9-dihydroxanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-8a,9-dihydroxanthen-9-yl]benzoate Openeye Name: methyl 2-(3,4,5-trihydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)benzoate CAS Name: 2-(3,4,5-trihydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(3,4,5-trihydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)benzoate Traditional Name: 2-(3,4,5-trihydroxy-6-keto-8a,9-dihydroxanthen-9-yl)benzoic acid methyl ester Formula: C21H16O7 MolecularWeight: 380.34754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O

InChI

InChI=1S/C21H16O7/c1-27-21(26)11-5-3-2-4-10(11)16-12-6-8-14(22)17(24)19(12)28-20-13(16)7-9-15(23)18(20)25/h2-9,12,16,23-25H,1H3