6-nitro-1,3-benzothiazol-2-amine; sulfuric acid

Systemtic Name: 6-nitro-1,3-benzothiazol-2-amine; sulfuric acid Openeye Name: 6-nitro-1,3-benzothiazol-2-amine; sulfuric acid CAS Name: 6-nitro-1,3-benzothiazol-2-amine; sulfuric acid IUPAC Name: 6-nitro-1,3-benzothiazol-2-amine; sulfuric acid Traditional Name: (6-nitro-1,3-benzothiazol-2-yl)amine; sulfuric acid Formula: C14H12N6O8S3 MolecularWeight: 488.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N.C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N.OS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N.C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N.OS(=O)(=O)O

InChI

InChI=1S/2C7H5N3O2S.H2O4S/c2*8-7-9-5-2-1-4(10(11)12)3-6(5)13-7;1-5(2,3)4/h2*1-3H,(H2,8,9);(H2,1,2,3,4)