12-(1,3-benzothiazol-2-ylsulfanyl)dodecanoic acid

Systemtic Name: 12-(1,3-benzothiazol-2-ylsulfanyl)dodecanoic acid Openeye Name: 12-(1,3-benzothiazol-2-ylsulfanyl)dodecanoic acid CAS Name: 12-(1,3-benzothiazol-2-ylthio)dodecanoic acid IUPAC Name: 12-(1,3-benzothiazol-2-ylsulfanyl)dodecanoic acid Traditional Name: 12-(1,3-benzothiazol-2-ylthio)lauric acid Formula: C19H27NO2S2 MolecularWeight: 365.55318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2S2/c21-18(22)14-8-6-4-2-1-3-5-7-11-15-23-19-20-16-12-9-10-13-17(16)24-19/h9-10,12-13H,1-8,11,14-15H2,(H,21,22)