2,3,4,5,6-pentamethylbenzenesulfonate

Systemtic Name: 2,3,4,5,6-pentamethylbenzenesulfonate Openeye Name: 2,3,4,5,6-pentamethylbenzenesulfonate CAS Name: 2,3,4,5,6-pentamethylbenzenesulfonate IUPAC Name: 2,3,4,5,6-pentamethylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentamethylbesylate Formula: C11H15O3S- MolecularWeight: 227.3

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O3S/c1-6-7(2)9(4)11(15(12,13)14)10(5)8(6)3/h1-5H3,(H,12,13,14)/p-1