4-[2-(1,3-benzodioxol-5-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoate

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoate Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoate CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoate IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoate Formula: C22H12NO8S- MolecularWeight: 450.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C22H13NO8S/c24-20-16-7-6-15(32(28,29)14-4-1-12(2-5-14)22(26)27)10-17(16)21(25)23(20)13-3-8-18-19(9-13)31-11-30-18/h1-10H,11H2,(H,26,27)/p-1