3-[1,3-bis(oxidanylidene)isoindol-5-yl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-5-yl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-(1,3-dioxoisoindolin-5-yl)sulfanylpropane-1-sulfonic acid CAS Name: 3-[(1,3-dioxo-5-isoindolyl)thio]-1-propanesulfonic acid IUPAC Name: 3-(1,3-dioxoisoindol-5-yl)sulfanylpropane-1-sulfonic acid Traditional Name: 3-[(1,3-diketoisoindolin-5-yl)thio]propane-1-sulfonic acid Formula: C11H11NO5S2 MolecularWeight: 301.33874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SCCCS(=O)(=O)O)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1SCCCS(=O)(=O)O)C(=O)NC2=O

InChI

InChI=1S/C11H11NO5S2/c13-10-8-3-2-7(6-9(8)11(14)12-10)18-4-1-5-19(15,16)17/h2-3,6H,1,4-5H2,(H,12,13,14)(H,15,16,17)