4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid; 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid

Systemtic Name: 4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid; 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid Openeye Name: 4-(3-hydroxy-6-oxo-xanthen-9-yl)benzene-1,3-dicarboxylic acid; 2-(3-hydroxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 4-(3-hydroxy-6-oxo-9-xanthenyl)benzene-1,3-dicarboxylic acid; 2-(3-hydroxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 4-(3-hydroxy-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid; 2-(3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 4-(3-hydroxy-6-keto-xanthen-9-yl)isophthalic acid; 2-(3-hydroxy-6-keto-xanthen-9-yl)terephthalic acid Formula: C42H24O14 MolecularWeight: 752.63156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O.C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O.C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/2C21H12O7/c22-11-2-5-14-17(8-11)28-18-9-12(23)3-6-15(18)19(14)16-7-10(20(24)25)1-4-13(16)21(26)27;22-11-2-5-14-17(8-11)28-18-9-12(23)3-6-15(18)19(14)13-4-1-10(20(24)25)7-16(13)21(26)27/h2*1-9,22H,(H,24,25)(H,26,27)