sodium 3-[1,3-bis(oxidanylidene)isoindol-5-yl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[1,3-bis(oxidanylidene)isoindol-5-yl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-(1,3-dioxoisoindolin-5-yl)sulfanylpropane-1-sulfonate CAS Name: sodium 3-[(1,3-dioxo-5-isoindolyl)thio]-1-propanesulfonate IUPAC Name: sodium 3-(1,3-dioxoisoindol-5-yl)sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[(1,3-diketoisoindolin-5-yl)thio]propane-1-sulfonate Formula: C11H10NNaO5S2 MolecularWeight: 323.32057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SCCCS(=O)(=O)[O-])C(=O)NC2=O.[Na+]

Isomeric SMILES

C1=CC2=C(C=C1SCCCS(=O)(=O)[O-])C(=O)NC2=O.[Na+]

InChI

InChI=1S/C11H11NO5S2.Na/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);/q;+1/p-1