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

Systemtic Name: 4-(6-oxidanyl-3-oxidanylidene-xanthen-1-yl)benzene-1,2,3-tricarboxylic acid Openeye Name: 4-(6-hydroxy-3-oxo-xanthen-1-yl)benzene-1,2,3-tricarboxylic acid CAS Name: 4-(6-hydroxy-3-oxo-1-xanthenyl)benzene-1,2,3-tricarboxylic acid IUPAC Name: 4-(6-hydroxy-3-oxoxanthen-1-yl)benzene-1,2,3-tricarboxylic acid Traditional Name: 4-(6-hydroxy-3-keto-xanthen-1-yl)hemimellitic 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=C(C3=C2)C4=C(C(=C(C=C4)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=C(C3=C2)C4=C(C(=C(C=C4)C(=O)O)C(=O)O)C(=O)O

InChI

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