3,4,6,7-tetrakis(chloranyl)thianthrene-1,2-disulfonic acid

Systemtic Name: 3,4,6,7-tetrakis(chloranyl)thianthrene-1,2-disulfonic acid Openeye Name: 3,4,6,7-tetrachlorothianthrene-1,2-disulfonic acid CAS Name: 3,4,6,7-tetrachlorothianthrene-1,2-disulfonic acid IUPAC Name: 3,4,6,7-tetrachlorothianthrene-1,2-disulfonic acid Traditional Name: 3,4,6,7-tetrachlorothianthrene-1,2-disulfonic acid Formula: C12H4Cl4O6S4 MolecularWeight: 514.22856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1SC3=C(S2)C(=C(C(=C3S(=O)(=O)O)S(=O)(=O)O)Cl)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(C2=C1SC3=C(S2)C(=C(C(=C3S(=O)(=O)O)S(=O)(=O)O)Cl)Cl)Cl)Cl

InChI

InChI=1S/C12H4Cl4O6S4/c13-3-1-2-4-8(5(3)14)24-9-6(15)7(16)11(25(17,18)19)12(10(9)23-4)26(20,21)22/h1-2H,(H,17,18,19)(H,20,21,22)