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

Systemtic Name: 4-(2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(3-hydroxy-2,7-dimethoxy-6-oxo-xanthen-9-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-(3-hydroxy-2,7-dimethoxy-6-oxo-9-xanthenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(3-hydroxy-2,7-dimethoxy-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(3-hydroxy-6-keto-2,7-dimethoxy-xanthen-9-yl)isophthalic acid Formula: C23H16O9 MolecularWeight: 436.36774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OC)C4=C(C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OC)C4=C(C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H16O9/c1-30-19-6-13-17(8-15(19)24)32-18-9-16(25)20(31-2)7-14(18)21(13)11-4-3-10(22(26)27)5-12(11)23(28)29/h3-9,24H,1-2H3,(H,26,27)(H,28,29)