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

Systemtic Name: 5-[4,5-bis(chloranyl)-2-methyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(4,5-dichloro-3-hydroxy-2-methyl-6-oxo-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-(4,5-dichloro-3-hydroxy-2-methyl-6-oxo-9-xanthenyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(4,5-dichloro-3-hydroxy-2-methyl-6-oxoxanthen-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(4,5-dichloro-3-hydroxy-6-keto-2-methyl-xanthen-9-yl)trimellitic acid Formula: C23H12Cl2O9 MolecularWeight: 503.24198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=C3C=CC(=O)C(=C3O2)Cl)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O)Cl)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=C3C=CC(=O)C(=C3O2)Cl)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O)Cl)O

InChI

InChI=1S/C23H12Cl2O9/c1-7-4-13-15(9-5-11(22(30)31)12(23(32)33)6-10(9)21(28)29)8-2-3-14(26)16(24)19(8)34-20(13)17(25)18(7)27/h2-6,27H,1H3,(H,28,29)(H,30,31)(H,32,33)