disodium; benzene; 1,1'-biphenyl; 4,5-disulfoimidazole-1,2-disulfonate

Systemtic Name: disodium; benzene; 1,1'-biphenyl; 4,5-disulfoimidazole-1,2-disulfonate Openeye Name: disodium; benzene; biphenyl; 4,5-disulfoimidazole-1,2-disulfonate CAS Name: disodium; benzene; 1,1'-biphenyl; 4,5-disulfoimidazole-1,2-disulfonate IUPAC Name: disodium; benzene; 1,1'-biphenyl; 4,5-disulfoimidazole-1,2-disulfonate Traditional Name: disodium; benzene; biphenyl; 4,5-disulfoimidazole-1,2-disulfonate Formula: C21H18N2Na2O12S4 MolecularWeight: 664.61336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C1=CC=C(C=C1)C2=CC=CC=C2.C1(=C(N(C(=N1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC=CC=C1.C1=CC=C(C=C1)C2=CC=CC=C2.C1(=C(N(C(=N1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C12H10.C6H6.C3H4N2O12S4.2Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;6-18(7,8)1-2(19(9,10)11)5(21(15,16)17)3(4-1)20(12,13)14;;/h1-10H;1-6H;(H,6,7,8)(H,9,10,11)(H,12,13,14)(H,15,16,17);;/q;;;2*+1/p-2