6-[(7-bromanyl-6-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid

Systemtic Name: 6-[(7-bromanyl-6-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid Openeye Name: 6-[(7-bromo-6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid CAS Name: 6-[(7-bromo-6-hydroxy-1,3-benzothiazol-2-yl)thio]hexanoic acid IUPAC Name: 6-[(7-bromo-6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid Traditional Name: 6-[(7-bromo-6-hydroxy-1,3-benzothiazol-2-yl)thio]hexanoic acid Formula: C13H14BrNO3S2 MolecularWeight: 376.28916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1N=C(S2)SCCCCCC(=O)O)Br)O

Isomeric SMILES

C1=CC(=C(C2=C1N=C(S2)SCCCCCC(=O)O)Br)O

InChI

InChI=1S/C13H14BrNO3S2/c14-11-9(16)6-5-8-12(11)20-13(15-8)19-7-3-1-2-4-10(17)18/h5-6,16H,1-4,7H2,(H,17,18)