3-(1,3-benzothiazol-5-yloxy)propane-1-sulfonic acid

Systemtic Name: 3-(1,3-benzothiazol-5-yloxy)propane-1-sulfonic acid Openeye Name: 3-(1,3-benzothiazol-5-yloxy)propane-1-sulfonic acid CAS Name: 3-(1,3-benzothiazol-5-yloxy)-1-propanesulfonic acid IUPAC Name: 3-(1,3-benzothiazol-5-yloxy)propane-1-sulfonic acid Traditional Name: 3-(1,3-benzothiazol-5-yloxy)propane-1-sulfonic acid Formula: C10H11NO4S2 MolecularWeight: 273.32864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OCCCS(=O)(=O)O)N=CS2

Isomeric SMILES

C1=CC2=C(C=C1OCCCS(=O)(=O)O)N=CS2

InChI

InChI=1S/C10H11NO4S2/c12-17(13,14)5-1-4-15-8-2-3-10-9(6-8)11-7-16-10/h2-3,6-7H,1,4-5H2,(H,12,13,14)