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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1NC2=CC=CC=C2S1)S(=O)(=O)O

Isomeric SMILES

CCC(C1NC2=CC=CC=C2S1)S(=O)(=O)O

InChI

InChI=1S/C10H13NO3S2/c1-2-9(16(12,13)14)10-11-7-5-3-4-6-8(7)15-10/h3-6,9-11H,2H2,1H3,(H,12,13,14)