4-methylbenzenesulfonate

Systemtic Name: 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate IUPAC Name: 4-methylbenzenesulfonate Traditional Name: tosylate Formula: C14H14O6S2-2 MolecularWeight: 342.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S/c2*1-6-2-4-7(5-3-6)11(8,9)10/h2*2-5H,1H3,(H,8,9,10)/p-2