aluminum 4-methylbenzenesulfonate

Systemtic Name: aluminum 4-methylbenzenesulfonate Openeye Name: aluminum 4-methylbenzenesulfonate CAS Name: aluminum 4-methylbenzenesulfonate IUPAC Name: aluminum 4-methylbenzenesulfonate Traditional Name: aluminum tosylate Formula: C7H7AlO3S+2 MolecularWeight: 198.175218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.Al/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+3/p-1