2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]acetic acid CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)thio]acetic acid IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)thio]acetic acid Formula: C9H6N2O4S2 MolecularWeight: 270.28494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1SC=N2)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC(=C(C2=C1SC=N2)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C9H6N2O4S2/c12-7(13)3-16-6-2-1-5-8(10-4-17-5)9(6)11(14)15/h1-2,4H,3H2,(H,12,13)