5-[4,5-bis(bromanyl)-2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-[4,5-bis(bromanyl)-2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(4,5-dibromo-3-hydroxy-2,7-dimethoxy-6-oxo-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-(4,5-dibromo-3-hydroxy-2,7-dimethoxy-6-oxo-9-xanthenyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(4,5-dibromo-3-hydroxy-2,7-dimethoxy-6-oxoxanthen-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(4,5-dibromo-3-hydroxy-6-keto-2,7-dimethoxy-xanthen-9-yl)trimellitic acid Formula: C24H14Br2O11 MolecularWeight: 638.16936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Br)Br)O)OC)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Br)Br)O)OC)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H14Br2O11/c1-35-13-5-11-15(7-3-9(23(31)32)10(24(33)34)4-8(7)22(29)30)12-6-14(36-2)19(28)17(26)21(12)37-20(11)16(25)18(13)27/h3-6,27H,1-2H3,(H,29,30)(H,31,32)(H,33,34)