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

Systemtic Name: 4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-3-[tris(oxidanyl)methyl]benzoic acid Openeye Name: 4-(3-hydroxy-6-oxo-xanthen-9-yl)-3-(trihydroxymethyl)benzoic acid CAS Name: 4-(3-hydroxy-6-oxo-9-xanthenyl)-3-(trihydroxymethyl)benzoic acid IUPAC Name: 4-(3-hydroxy-6-oxoxanthen-9-yl)-3-(trihydroxymethyl)benzoic acid Traditional Name: 4-(3-hydroxy-6-keto-xanthen-9-yl)-3-(trihydroxymethyl)benzoic acid Formula: C21H14O8 MolecularWeight: 394.33106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(O)(O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(O)(O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C21H14O8/c22-11-2-5-14-17(8-11)29-18-9-12(23)3-6-15(18)19(14)13-4-1-10(20(24)25)7-16(13)21(26,27)28/h1-9,22,26-28H,(H,24,25)