4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoate

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoate Openeye Name: 4-(2,5-dioxopyrrol-1-yl)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoate CAS Name: 4-(2,5-dioxo-1-pyrrolyl)-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoate IUPAC Name: 4-(2,5-dioxopyrrol-1-yl)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-4-maleimido-benzoate Formula: C24H12NO7- MolecularWeight: 426.35458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C=CC2=O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C=CC2=O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)[O-]

InChI

InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)18-9-12(1-4-15(18)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31)/p-1