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

Systemtic Name: 3',6'-bis(oxidanyl)-1-oxidanylidene-4'-[[2,2,2-tris(fluoranyl)ethanoylamino]methyl]spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-dihydroxy-1-oxo-4'-[[(2,2,2-trifluoroacetyl)amino]methyl]spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-dihydroxy-1-oxo-4'-[[(2,2,2-trifluoro-1-oxoethyl)amino]methyl]-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-dihydroxy-1-oxo-4'-[[(2,2,2-trifluoroacetyl)amino]methyl]spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-dihydroxy-1-keto-4'-[[(2,2,2-trifluoroacetyl)amino]methyl]spiro[phthalan-3,9'-xanthene]-5-carboxylic acid Formula: C24H14F3NO8 MolecularWeight: 501.36507

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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(=C5CNC(=O)C(F)(F)F)O)OC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5CNC(=O)C(F)(F)F)O)OC2=O

InChI

InChI=1S/C24H14F3NO8/c25-24(26,27)22(34)28-9-13-17(30)6-5-15-19(13)35-18-8-11(29)2-4-14(18)23(15)16-7-10(20(31)32)1-3-12(16)21(33)36-23/h1-8,29-30H,9H2,(H,28,34)(H,31,32)