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

Systemtic Name: 4-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-(2-methyl-1,3-dioxo-isoindolin-5-yl)sulfonylbenzoic acid CAS Name: 4-[(2-methyl-1,3-dioxo-5-isoindolyl)sulfonyl]benzoic acid IUPAC Name: 4-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylbenzoic acid Traditional Name: 4-(1,3-diketo-2-methyl-isoindolin-5-yl)sulfonylbenzoic acid Formula: C16H11NO6S MolecularWeight: 345.32664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11NO6S/c1-17-14(18)12-7-6-11(8-13(12)15(17)19)24(22,23)10-4-2-9(3-5-10)16(20)21/h2-8H,1H3,(H,20,21)