4-[2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid

Systemtic Name: 4-[2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2-furylmethyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(2-furanylmethyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(furan-2-ylmethyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(2-furfuryl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C20H13NO7S MolecularWeight: 411.38472

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H13NO7S/c22-18-16-8-7-15(29(26,27)14-5-3-12(4-6-14)20(24)25)10-17(16)19(23)21(18)11-13-2-1-9-28-13/h1-10H,11H2,(H,24,25)