4-(6-nitro-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid

Systemtic Name: 4-(6-nitro-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Openeye Name: 4-(6-nitro-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid CAS Name: 4-(6-nitro-1,3-benzothiazol-2-yl)-2-thiophenesulfonic acid IUPAC Name: 4-(6-nitro-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Traditional Name: 4-(6-nitro-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Formula: C11H6N2O5S3 MolecularWeight: 342.37074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)C3=CSC(=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)C3=CSC(=C3)S(=O)(=O)O

InChI

InChI=1S/C11H6N2O5S3/c14-13(15)7-1-2-8-9(4-7)20-11(12-8)6-3-10(19-5-6)21(16,17)18/h1-5H,(H,16,17,18)