trisodium 2,4,6-tris(chloranyl)-3,5-disulfo-benzoate

Systemtic Name: trisodium 2,4,6-tris(chloranyl)-3,5-disulfo-benzoate Openeye Name: trisodium 2,4,6-trichloro-3,5-disulfo-benzoate CAS Name: trisodium 2,4,6-trichloro-3,5-disulfobenzoate IUPAC Name: trisodium 2,4,6-trichloro-3,5-disulfobenzoate Traditional Name: trisodium 2,4,6-trichloro-3,5-disulfo-benzoate Formula: C7H2Cl3Na3O8S2+2 MolecularWeight: 453.54429

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(C(=C(C(=C1Cl)S(=O)(=O)O)Cl)S(=O)(=O)O)Cl)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1(=C(C(=C(C(=C1Cl)S(=O)(=O)O)Cl)S(=O)(=O)O)Cl)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C7H3Cl3O8S2.3Na/c8-2-1(7(11)12)3(9)6(20(16,17)18)4(10)5(2)19(13,14)15;;;/h(H,11,12)(H,13,14,15)(H,16,17,18);;;/q;3*+1/p-1