2-chloranyl-3H-1,3-benzothiazole-2-sulfonic acid

Systemtic Name: 2-chloranyl-3H-1,3-benzothiazole-2-sulfonic acid Openeye Name: 2-chloro-3H-1,3-benzothiazole-2-sulfonic acid CAS Name: 2-chloro-3H-1,3-benzothiazole-2-sulfonic acid IUPAC Name: 2-chloro-3H-1,3-benzothiazole-2-sulfonic acid Traditional Name: 2-chloro-3H-1,3-benzothiazole-2-sulfonic acid Formula: C7H6ClNO3S2 MolecularWeight: 251.71044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(S2)(S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(S2)(S(=O)(=O)O)Cl

InChI

InChI=1S/C7H6ClNO3S2/c8-7(14(10,11)12)9-5-3-1-2-4-6(5)13-7/h1-4,9H,(H,10,11,12)