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

Systemtic Name: 3',6'-bis(dimethylamino)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-bis(dimethylamino)-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-bis(dimethylamino)-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-bis(dimethylamino)-1-keto-spiro[phthalan-3,9'-xanthene]-5-carboxylic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3

InChI

InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)31-22-13-16(27(3)4)7-10-19(22)25(18)20-11-14(23(28)29)5-8-17(20)24(30)32-25/h5-13H,1-4H3,(H,28,29)