6-(1,3-benzothiazol-2-yl)hexanoic acid

Systemtic Name: 6-(1,3-benzothiazol-2-yl)hexanoic acid Openeye Name: 6-(1,3-benzothiazol-2-yl)hexanoic acid CAS Name: 6-(1,3-benzothiazol-2-yl)hexanoic acid IUPAC Name: 6-(1,3-benzothiazol-2-yl)hexanoic acid Traditional Name: 6-(1,3-benzothiazol-2-yl)hexanoic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCCC(=O)O

InChI

InChI=1S/C13H15NO2S/c15-13(16)9-3-1-2-8-12-14-10-6-4-5-7-11(10)17-12/h4-7H,1-3,8-9H2,(H,15,16)