tetrasodium 5-chloranyl-2-(4-chloranyl-2,6-disulfonato-phenoxy)benzene-1,3-disulfonate

Systemtic Name: tetrasodium 5-chloranyl-2-(4-chloranyl-2,6-disulfonato-phenoxy)benzene-1,3-disulfonate Openeye Name: tetrasodium 5-chloro-2-(4-chloro-2,6-disulfonato-phenoxy)benzene-1,3-disulfonate CAS Name: tetrasodium 5-chloro-2-(4-chloro-2,6-disulfonatophenoxy)benzene-1,3-disulfonate IUPAC Name: tetrasodium 5-chloro-2-(4-chloro-2,6-disulfonatophenoxy)benzene-1,3-disulfonate Traditional Name: tetrasodium 5-chloro-2-(4-chloro-2,6-disulfonato-phenoxy)benzene-1,3-disulfonate Formula: C12H4Cl2Na4O13S4 MolecularWeight: 647.27744

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)[O-])OC2=C(C=C(C=C2S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)[O-])OC2=C(C=C(C=C2S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H8Cl2O13S4.4Na/c13-5-1-7(28(15,16)17)11(8(2-5)29(18,19)20)27-12-9(30(21,22)23)3-6(14)4-10(12)31(24,25)26;;;;/h1-4H,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26);;;;/q;4*+1/p-4