4-methylsulfonyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 4-methylsulfonyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoic acid CAS Name: 4-methylsulfonyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: 4-methylsulfonyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-mesyl-butyric acid Formula: C13H12N2O8S MolecularWeight: 356.30798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O8S/c1-24(22,23)6-5-9(13(18)19)14-11(16)7-3-2-4-8(15(20)21)10(7)12(14)17/h2-4,9H,5-6H2,1H3,(H,18,19)