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

Systemtic Name: 4'-(aminomethyl)-3',6'-bis(oxidanyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Openeye Name: 4'-(aminomethyl)-3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid CAS Name: 4'-(aminomethyl)-3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid IUPAC Name: 4'-(aminomethyl)-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Traditional Name: 4'-(aminomethyl)-3',6'-dihydroxy-1-keto-spiro[phthalan-3,9'-xanthene]-5-carboxylic acid Formula: C22H15NO7 MolecularWeight: 405.357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5CN)O)OC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5CN)O)OC2=O

InChI

InChI=1S/C22H15NO7/c23-9-13-17(25)6-5-15-19(13)29-18-8-11(24)2-4-14(18)22(15)16-7-10(20(26)27)1-3-12(16)21(28)30-22/h1-8,24-25H,9,23H2,(H,26,27)