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

Systemtic Name: 2-[2,7-bis(2-carboxyethyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-keto-xanthen-9-yl]benzoic acid Formula: C26H20O9 MolecularWeight: 476.4316

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20O9/c27-19-11-21-17(9-13(19)5-7-23(29)30)25(15-3-1-2-4-16(15)26(33)34)18-10-14(6-8-24(31)32)20(28)12-22(18)35-21/h1-4,9-12,27H,5-8H2,(H,29,30)(H,31,32)(H,33,34)