2-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-4-yl]amino]ethanoic acid Openeye Name: 2-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-4-yl)amino]acetic acid CAS Name: 2-[(3',6'-dihydroxy-3-oxo-4-spiro[isobenzofuran-1,9'-xanthene]yl)amino]acetic acid IUPAC Name: 2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)amino]acetic acid Traditional Name: 2-[(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-4-yl)amino]acetic acid Formula: C22H15NO7 MolecularWeight: 405.357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15NO7/c24-11-4-6-13-17(8-11)29-18-9-12(25)5-7-14(18)22(13)15-2-1-3-16(23-10-19(26)27)20(15)21(28)30-22/h1-9,23-25H,10H2,(H,26,27)