5-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-(3-hydroxy-6-oxo-9-xanthenyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(3-hydroxy-6-oxoxanthen-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(3-hydroxy-6-keto-xanthen-9-yl)trimellitic acid Formula: C22H12O9 MolecularWeight: 420.32528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H12O9/c23-9-1-3-11-17(5-9)31-18-6-10(24)2-4-12(18)19(11)13-7-15(21(27)28)16(22(29)30)8-14(13)20(25)26/h1-8,23H,(H,25,26)(H,27,28)(H,29,30)