5-(2,7-dihexyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-(2,7-dihexyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(2,7-dihexyl-3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-(2,7-dihexyl-3-hydroxy-6-oxo-9-xanthenyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(2,7-dihexyl-3-hydroxy-6-oxoxanthen-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(2,7-dihexyl-3-hydroxy-6-keto-xanthen-9-yl)trimellitic acid Formula: C34H36O9 MolecularWeight: 588.64424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)CCCCCC)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)CCCCCC)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C34H36O9/c1-3-5-7-9-11-19-13-25-29(17-27(19)35)43-30-18-28(36)20(12-10-8-6-4-2)14-26(30)31(25)21-15-23(33(39)40)24(34(41)42)16-22(21)32(37)38/h13-18,35H,3-12H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)