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6-[(4-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid

6-[(4-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid

Systemtic Name:6-[(4-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid
Openeye Name:6-[(4-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid
CAS Name:6-[(4-hydroxy-1,3-benzothiazol-2-yl)thio]hexanoic acid
IUPAC Name:6-[(4-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]hexanoic acid
Traditional Name:6-[(4-hydroxy-1,3-benzothiazol-2-yl)thio]hexanoic acid
Formula: C13H15NO3S2
MolecularWeight: 297.3931
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)SCCCCCC(=O)O)O


Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)SCCCCCC(=O)O)O


InChI

InChI=1S/C13H15NO3S2/c15-9-5-4-6-10-12(9)14-13(19-10)18-8-3-1-2-7-11(16)17/h4-6,15H,1-3,7-8H2,(H,16,17)


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