3',6'-bis(2-carboxyethyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Systemtic Name: 3',6'-bis(2-carboxyethyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-bis(2-carboxyethyloxy)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-bis(2-carboxyethyloxy)-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-bis(2-carboxyethyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-bis(2-carboxyethyloxy)-3-keto-spiro[phthalan-1,9'-xanthene]-5-carboxylic acid Formula: C27H20O11 MolecularWeight: 520.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)OCCC(=O)O)OC5=C3C=CC(=C5)OCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)OCCC(=O)O)OC5=C3C=CC(=C5)OCCC(=O)O

InChI

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