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

Systemtic Name: 5-(2-hexyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid Openeye Name: 5-(2-hexyl-3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-(2-hexyl-3-hydroxy-6-oxo-9-xanthenyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-(2-hexyl-3-hydroxy-6-oxoxanthen-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(2-hexyl-3-hydroxy-6-keto-xanthen-9-yl)trimellitic acid Formula: C28H24O9 MolecularWeight: 504.48476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C28H24O9/c1-2-3-4-5-6-14-9-21-24(13-22(14)30)37-23-10-15(29)7-8-16(23)25(21)17-11-19(27(33)34)20(28(35)36)12-18(17)26(31)32/h7-13,30H,2-6H2,1H3,(H,31,32)(H,33,34)(H,35,36)