pentasodium 2-(2-oxidanidyl-3,5-disulfonato-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate

Systemtic Name: pentasodium 2-(2-oxidanidyl-3,5-disulfonato-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate Openeye Name: pentasodium 2-(2-oxido-3,5-disulfonato-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate CAS Name: pentasodium 2-(2-oxido-3,5-disulfonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate IUPAC Name: pentasodium 2-(2-oxido-3,5-disulfonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate Traditional Name: pentasodium 2-(2-oxido-3,5-disulfonato-phenoxy)-1,3,2-benzodioxantimonole-4,6-disulfonate Formula: C12H4Na5O16S4Sb MolecularWeight: 769.11941

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1S(=O)(=O)[O-])O[Sb](O2)OC3=CC(=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C2C(=C1S(=O)(=O)[O-])O[Sb](O2)OC3=CC(=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C6H6O8S2.5Na.Sb/c2*7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;;;;/h2*1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;;/q;;5*+1;+3/p-8