2-[2,7-bis(2-carboxyethyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[2,7-bis(2-carboxyethyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxo-xanthen-9-yl]benzene-1,3-dicarboxylic acid CAS Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxo-9-xanthenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid Traditional Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-keto-xanthen-9-yl]isophthalic acid Formula: C27H20O11 MolecularWeight: 520.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)CCC(=O)O)O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)CCC(=O)O)O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C27H20O11/c28-18-10-20-16(8-12(18)4-6-22(30)31)25(24-14(26(34)35)2-1-3-15(24)27(36)37)17-9-13(5-7-23(32)33)19(29)11-21(17)38-20/h1-3,8-11,28H,4-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)