sodium 3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propane-1-sulfonate Openeye Name: sodium 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonate CAS Name: sodium 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1-propanesulfonate IUPAC Name: sodium 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonate Traditional Name: sodium 3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propane-1-sulfonate Formula: C10H10NNaO6S2 MolecularWeight: 327.30927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H11NO6S2.Na/c12-10-8-4-1-2-5-9(8)19(16,17)11(10)6-3-7-18(13,14)15;/h1-2,4-5H,3,6-7H2,(H,13,14,15);/q;+1/p-1