2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C20H12O7 MolecularWeight: 364.30508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)C(=O)O

InChI

InChI=1S/C20H12O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h1-8,21,23-24H,(H,25,26)