2-(4-methylsulfonyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(4-methylsulfonyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(1-carboxy-3-methylsulfonyl-propyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(1-hydroxy-4-methylsulfonyl-1-oxobutan-2-yl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(1-hydroxy-4-methylsulfonyl-1-oxobutan-2-yl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(1-carboxy-3-mesyl-propyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C14H13NO8S MolecularWeight: 355.31992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO8S/c1-24(22,23)5-4-10(14(20)21)15-11(16)8-3-2-7(13(18)19)6-9(8)12(15)17/h2-3,6,10H,4-5H2,1H3,(H,18,19)(H,20,21)