dibismuth; 4-oxidanidyl-5-oxidanylidene-cyclohepta-1,3,6-triene-1-sulfonate; 7-oxidanylidene-4-sulfo-cyclohepta-1,3,5-trien-1-olate

Systemtic Name: dibismuth; 4-oxidanidyl-5-oxidanylidene-cyclohepta-1,3,6-triene-1-sulfonate; 7-oxidanylidene-4-sulfo-cyclohepta-1,3,5-trien-1-olate Openeye Name: dibismuth; 4-oxido-5-oxo-cyclohepta-1,3,6-triene-1-sulfonate; 7-oxo-4-sulfo-cyclohepta-1,3,5-trien-1-olate CAS Name: dibismuth; 4-oxido-5-oxo-1-cyclohepta-1,3,6-trienesulfonate; 7-oxo-4-sulfo-1-cyclohepta-1,3,5-trienolate IUPAC Name: dibismuth; 4-oxido-5-oxocyclohepta-1,3,6-triene-1-sulfonate; 7-oxo-4-sulfocyclohepta-1,3,5-trien-1-olate Traditional Name: dibismuth; 5-keto-4-oxido-cyclohepta-1,3,6-triene-1-sulfonate; 7-keto-4-sulfo-cyclohepta-1,3,5-trien-1-olate Formula: C28H18Bi2O20S4 MolecularWeight: 1220.65128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1S(=O)(=O)O)[O-].C1=CC(=O)C(=CC=C1S(=O)(=O)O)[O-].C1=CC(=O)C(=CC=C1S(=O)(=O)[O-])[O-].C1=CC(=O)C(=CC=C1S(=O)(=O)[O-])[O-].[Bi+3].[Bi+3]

Isomeric SMILES

C1=CC(=O)C(=CC=C1S(=O)(=O)O)[O-].C1=CC(=O)C(=CC=C1S(=O)(=O)O)[O-].C1=CC(=O)C(=CC=C1S(=O)(=O)[O-])[O-].C1=CC(=O)C(=CC=C1S(=O)(=O)[O-])[O-].[Bi+3].[Bi+3]

InChI

InChI=1S/4C7H6O5S.2Bi/c4*8-6-3-1-5(13(10,11)12)2-4-7(6)9;;/h4*1-4H,(H,8,9)(H,10,11,12);;/q;;;;2*+3/p-6