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

Systemtic Name: 5-[2,7-bis(iodanyl)-4,5-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(3-hydroxy-2,7-diiodo-4,5-dimethoxy-6-oxo-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-(3-hydroxy-2,7-diiodo-4,5-dimethoxy-6-oxo-9-xanthenyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(3-hydroxy-2,7-diiodo-4,5-dimethoxy-6-oxoxanthen-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(3-hydroxy-2,7-diiodo-6-keto-4,5-dimethoxy-xanthen-9-yl)trimellitic acid Formula: C24H14I2O11 MolecularWeight: 732.1703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1O)I)C(=C3C=C(C(=O)C(=C3O2)OC)I)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1O)I)C(=C3C=C(C(=O)C(=C3O2)OC)I)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H14I2O11/c1-35-20-16(27)13(25)5-11-15(12-6-14(26)17(28)21(36-2)19(12)37-18(11)20)7-3-9(23(31)32)10(24(33)34)4-8(7)22(29)30/h3-6,27H,1-2H3,(H,29,30)(H,31,32)(H,33,34)