sodium 1,1,3,3-tetraethyl-2-$l^{1}-oxidanyl-isoindole-5-sulfonate

Systemtic Name: sodium 1,1,3,3-tetraethyl-2-$l^{1}-oxidanyl-isoindole-5-sulfonate Openeye Name: sodium 1,1,3,3-tetraethyl-2-$l^{1}-oxidanyl-isoindoline-5-sulfonate CAS Name: sodium 1,1,3,3-tetraethyl-2-$l^{1}-oxidanyl-5-isoindolesulfonate IUPAC Name: sodium 1,1,3,3-tetraethyl-2-$l^{1}-oxidanylisoindole-5-sulfonate Traditional Name: sodium 1,1,3,3-tetraethyl-2-$l^{1}-oxidanyl-isoindoline-5-sulfonate Formula: C16H23NNaO4S MolecularWeight: 348.41289

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(N1[O])(CC)CC)CC.[Na+]

Isomeric SMILES

CCC1(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(N1[O])(CC)CC)CC.[Na+]

InChI

InChI=1S/C16H24NO4S.Na/c1-5-15(6-2)13-10-9-12(22(19,20)21)11-14(13)16(7-3,8-4)17(15)18;/h9-11H,5-8H2,1-4H3,(H,19,20,21);/q;+1/p-1