3-(2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(2H-1,3-benzothiazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Formula: C10H13NO3S2 MolecularWeight: 259.34512

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)O

Isomeric SMILES

C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)O

InChI

InChI=1S/C10H13NO3S2/c12-16(13,14)7-3-6-11-8-15-10-5-2-1-4-9(10)11/h1-2,4-5H,3,6-8H2,(H,12,13,14)