3-chloranyl-2-sulfanylidene-1,3-benzothiazole-4-sulfonic acid

Systemtic Name: 3-chloranyl-2-sulfanylidene-1,3-benzothiazole-4-sulfonic acid Openeye Name: 3-chloro-2-thioxo-1,3-benzothiazole-4-sulfonic acid CAS Name: 3-chloro-2-sulfanylidene-1,3-benzothiazole-4-sulfonic acid IUPAC Name: 3-chloro-2-sulfanylidene-1,3-benzothiazole-4-sulfonic acid Traditional Name: 3-chloro-2-thioxo-1,3-benzothiazole-4-sulfonic acid Formula: C7H4ClNO3S3 MolecularWeight: 281.75956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)O)N(C(=S)S2)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)O)N(C(=S)S2)Cl

InChI

InChI=1S/C7H4ClNO3S3/c8-9-6-4(14-7(9)13)2-1-3-5(6)15(10,11)12/h1-3H,(H,10,11,12)