2-(2-oxidanyl-3,5-disulfo-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonic acid

Systemtic Name: 2-(2-oxidanyl-3,5-disulfo-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonic acid Openeye Name: 2-(2-hydroxy-3,5-disulfo-phenoxy)-1,3,2-benzodioxastibole-4,6-disulfonic acid CAS Name: 2-(2-hydroxy-3,5-disulfophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonic acid IUPAC Name: 2-(2-hydroxy-3,5-disulfophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonic acid Traditional Name: 2-(2-hydroxy-3,5-disulfo-phenoxy)-1,3,2-benzodioxantimonole-4,6-disulfonic acid Formula: C12H9O16S4Sb MolecularWeight: 659.21026

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1S(=O)(=O)O)O[Sb](O2)OC3=CC(=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C2C(=C1S(=O)(=O)O)O[Sb](O2)OC3=CC(=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/2C6H6O8S2.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;;+3/p-3