1,4,6,9-tetrakis(chloranyl)thianthrene-2,8-disulfonic acid

Systemtic Name: 1,4,6,9-tetrakis(chloranyl)thianthrene-2,8-disulfonic acid Openeye Name: 1,4,6,9-tetrachlorothianthrene-2,8-disulfonic acid CAS Name: 1,4,6,9-tetrachlorothianthrene-2,8-disulfonic acid IUPAC Name: 1,4,6,9-tetrachlorothianthrene-2,8-disulfonic acid Traditional Name: 1,4,6,9-tetrachlorothianthrene-2,8-disulfonic acid Formula: C12H4Cl4O6S4 MolecularWeight: 514.22856

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C2C(=C1Cl)SC3=C(C=C(C(=C3S2)Cl)S(=O)(=O)O)Cl)Cl)S(=O)(=O)O

Isomeric SMILES

C1=C(C(=C2C(=C1Cl)SC3=C(C=C(C(=C3S2)Cl)S(=O)(=O)O)Cl)Cl)S(=O)(=O)O

InChI

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