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

Systemtic Name: pentasodium 2-(2-oxidanidyl-3,5-disulfonato-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate heptahydrate Openeye Name: pentasodium 2-(2-oxido-3,5-disulfonato-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate heptahydrate CAS Name: pentasodium 2-(2-oxido-3,5-disulfonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate heptahydrate IUPAC Name: pentasodium 2-(2-oxido-3,5-disulfonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate heptahydrate Traditional Name: pentasodium 2-(2-oxido-3,5-disulfonato-phenoxy)-1,3,2-benzodioxantimonole-4,6-disulfonate heptahydrate Formula: C12H18Na5O23S4Sb MolecularWeight: 895.22637

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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-].O.O.O.O.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-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C6H6O8S2.5Na.7H2O.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);;;;;;7*1H2;/q;;5*+1;;;;;;;;+3/p-8