aluminum 3-methylbenzenesulfonate

Systemtic Name: aluminum 3-methylbenzenesulfonate Openeye Name: aluminum 3-methylbenzenesulfonate CAS Name: aluminum 3-methylbenzenesulfonate IUPAC Name: aluminum 3-methylbenzenesulfonate Traditional Name: aluminum 3-methylbesylate Formula: C21H21AlO9S3 MolecularWeight: 540.562578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)[O-].CC1=CC(=CC=C1)S(=O)(=O)[O-].CC1=CC(=CC=C1)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)[O-].CC1=CC(=CC=C1)S(=O)(=O)[O-].CC1=CC(=CC=C1)S(=O)(=O)[O-].[Al+3]

InChI

InChI=1S/3C7H8O3S.Al/c3*1-6-3-2-4-7(5-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3