3-[2-methyl-5-(trifluoromethyl)-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-methyl-5-(trifluoromethyl)-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-methyl-5-(trifluoromethyl)-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-methyl-5-(trifluoromethyl)-2H-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-methyl-5-(trifluoromethyl)-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-methyl-5-(trifluoromethyl)-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C12H14F3NO3S2 MolecularWeight: 341.36967

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)C(F)(F)F)CCCS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=CC(=C2)C(F)(F)F)CCCS(=O)(=O)O

InChI

InChI=1S/C12H14F3NO3S2/c1-8-16(5-2-6-21(17,18)19)10-7-9(12(13,14)15)3-4-11(10)20-8/h3-4,7-8H,2,5-6H2,1H3,(H,17,18,19)