aluminum benzenesulfonate

Systemtic Name: aluminum benzenesulfonate Openeye Name: aluminum benzenesulfonate CAS Name: aluminum benzenesulfonate IUPAC Name: aluminum benzenesulfonate Traditional Name: aluminum tribesylate Formula: C18H15AlO9S3 MolecularWeight: 498.482838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H6O3S.Al/c3*7-10(8,9)6-4-2-1-3-5-6;/h3*1-5H,(H,7,8,9);/q;;;+3/p-3