3-(5-nitro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-nitro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(5-nitro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(5-nitro-2H-1,3-benzothiazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-nitro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(5-nitro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Formula: C10H12N2O5S2 MolecularWeight: 304.34268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CCCS(=O)(=O)O

Isomeric SMILES

C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CCCS(=O)(=O)O

InChI

InChI=1S/C10H12N2O5S2/c13-12(14)8-2-3-10-9(6-8)11(7-18-10)4-1-5-19(15,16)17/h2-3,6H,1,4-5,7H2,(H,15,16,17)