3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propane-1-sulfonic acid Openeye Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propane-1-sulfonic acid Formula: C10H11NO6S2 MolecularWeight: 305.32744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCS(=O)(=O)O

InChI

InChI=1S/C10H11NO6S2/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)