aluminum 2,4-bis(chloranyl)benzenesulfonate

Systemtic Name: aluminum 2,4-bis(chloranyl)benzenesulfonate Openeye Name: aluminum 2,4-dichlorobenzenesulfonate CAS Name: aluminum 2,4-dichlorobenzenesulfonate IUPAC Name: aluminum 2,4-dichlorobenzenesulfonate Traditional Name: aluminum 2,4-dichlorobesylate Formula: C18H9AlCl6O9S3 MolecularWeight: 705.153198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)[O-].[Al+3]

InChI

InChI=1S/3C6H4Cl2O3S.Al/c3*7-4-1-2-6(5(8)3-4)12(9,10)11;/h3*1-3H,(H,9,10,11);/q;;;+3/p-3