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

Systemtic Name: 5-[4,5-bis(bromanyl)-2,7-diethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(4,5-dibromo-2,7-diethoxy-3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-(4,5-dibromo-2,7-diethoxy-3-hydroxy-6-oxo-9-xanthenyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(4,5-dibromo-2,7-diethoxy-3-hydroxy-6-oxoxanthen-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(4,5-dibromo-2,7-diethoxy-3-hydroxy-6-keto-xanthen-9-yl)trimellitic acid Formula: C26H18Br2O11 MolecularWeight: 666.22252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Br)Br)O)OCC)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Br)Br)O)OCC)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H18Br2O11/c1-3-37-15-7-13-17(9-5-11(25(33)34)12(26(35)36)6-10(9)24(31)32)14-8-16(38-4-2)21(30)19(28)23(14)39-22(13)18(27)20(15)29/h5-8,29H,3-4H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)