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

Systemtic Name: 4-(2,7-diethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,2,3-tricarboxylic acid Openeye Name: 4-(2,7-diethoxy-3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,2,3-tricarboxylic acid CAS Name: 4-(2,7-diethoxy-3-hydroxy-6-oxo-9-xanthenyl)benzene-1,2,3-tricarboxylic acid IUPAC Name: 4-(2,7-diethoxy-3-hydroxy-6-oxoxanthen-9-yl)benzene-1,2,3-tricarboxylic acid Traditional Name: 4-(2,7-diethoxy-3-hydroxy-6-keto-xanthen-9-yl)hemimellitic acid Formula: C26H20O11 MolecularWeight: 508.4304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OCC)C4=C(C(=C(C=C4)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OCC)C4=C(C(=C(C=C4)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H20O11/c1-3-35-19-7-13-17(9-15(19)27)37-18-10-16(28)20(36-4-2)8-14(18)21(13)11-5-6-12(24(29)30)23(26(33)34)22(11)25(31)32/h5-10,27H,3-4H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)