trisodium; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate; gold(3+); 2-oxidanylbutanebis(thioate)

Systemtic Name: trisodium; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate; gold(3+); 2-oxidanylbutanebis(thioate) Openeye Name: trisodium; 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate; gold(3+); 2-hydroxybutanebis(thioate) CAS Name: trisodium; 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoate; gold(3+); 2-hydroxybutanebis(thioate) IUPAC Name: trisodium; 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate; gold(3+); 2-hydroxybutanebis(thioate) Traditional Name: trisodium; 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoate; gold(3+); 2-hydroxybutanebis(thioate) Formula: C64H56Au3Cl4N8Na3O32S12 MolecularWeight: 2635.6248

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C(C(C(=S)[O-])O)C(=S)[O-].C(C(C(=S)[O-])O)C(=S)[O-].C(C(C(=S)[O-])O)C(=S)[O-].C(C(C(=S)[O-])O)C(=S)[O-].[Na+].[Na+].[Na+].[Au+3].[Au+3].[Au+3]

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C(C(C(=S)[O-])O)C(=S)[O-].C(C(C(=S)[O-])O)C(=S)[O-].C(C(C(=S)[O-])O)C(=S)[O-].C(C(C(=S)[O-])O)C(=S)[O-].[Na+].[Na+].[Na+].[Au+3].[Au+3].[Au+3]

InChI

InChI=1S/4C12H11ClN2O5S.4C4H6O3S2.3Au.3Na/c4*13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;4*5-2(4(7)9)1-3(6)8;;;;;;/h4*1-5,15H,6H2,(H,16,17)(H2,14,18,19);4*2,5H,1H2,(H,6,8)(H,7,9);;;;;;/q;;;;;;;;3*+3;3*+1/p-12