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

Systemtic Name: 7-aminocarbonyl-3',6'-bis(oxidanyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Openeye Name: 7-carbamoyl-3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid CAS Name: 7-carbamoyl-3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid IUPAC Name: 7-carbamoyl-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Traditional Name: 7-carbamoyl-3',6'-dihydroxy-1-keto-spiro[phthalan-3,9'-xanthene]-5-carboxylic acid Formula: C22H13NO8 MolecularWeight: 419.34052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=CC(=C5C(=O)O4)C(=O)N)C(=O)O)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=CC(=C5C(=O)O4)C(=O)N)C(=O)O)C=CC(=C3)O

InChI

InChI=1S/C22H13NO8/c23-19(26)12-5-9(20(27)28)6-15-18(12)21(29)31-22(15)13-3-1-10(24)7-16(13)30-17-8-11(25)2-4-14(17)22/h1-8,24-25H,(H2,23,26)(H,27,28)