3,4-dimethylbenzenesulfonate; thallium(1+)

Systemtic Name: 3,4-dimethylbenzenesulfonate; thallium(1+) Openeye Name: 3,4-dimethylbenzenesulfonate; thallium(1+) CAS Name: 3,4-dimethylbenzenesulfonate; thallium(1+) IUPAC Name: 3,4-dimethylbenzenesulfonate; thallium(1+) Traditional Name: 3,4-dimethylbesylate; thallium(1+) Formula: C8H9O3STl MolecularWeight: 389.60356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Tl+]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Tl+]

InChI

InChI=1S/C8H10O3S.Tl/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1