2,3,5,6-tetramethylbenzenesulfonate

Systemtic Name: 2,3,5,6-tetramethylbenzenesulfonate Openeye Name: 2,3,5,6-tetramethylbenzenesulfonate CAS Name: 2,3,5,6-tetramethylbenzenesulfonate IUPAC Name: 2,3,5,6-tetramethylbenzenesulfonate Traditional Name: 2,3,5,6-tetramethylbesylate Formula: C10H13O3S- MolecularWeight: 213.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)[O-])C)C

InChI

InChI=1S/C10H14O3S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3,(H,11,12,13)/p-1