4-[5-(trichloromethyl)-2H-1,3-benzothiazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[5-(trichloromethyl)-2H-1,3-benzothiazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[5-(trichloromethyl)-2H-1,3-benzothiazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[5-(trichloromethyl)-2H-1,3-benzothiazol-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[5-(trichloromethyl)-2H-1,3-benzothiazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[5-(trichloromethyl)-2H-1,3-benzothiazol-3-yl]butane-1-sulfonic acid Formula: C12H14Cl3NO3S2 MolecularWeight: 390.73346

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C(S1)C=CC(=C2)C(Cl)(Cl)Cl)CCCCS(=O)(=O)O

Isomeric SMILES

C1N(C2=C(S1)C=CC(=C2)C(Cl)(Cl)Cl)CCCCS(=O)(=O)O

InChI

InChI=1S/C12H14Cl3NO3S2/c13-12(14,15)9-3-4-11-10(7-9)16(8-20-11)5-1-2-6-21(17,18)19/h3-4,7H,1-2,5-6,8H2,(H,17,18,19)