benzene; 4-methylbenzenesulfonate

Systemtic Name: benzene; 4-methylbenzenesulfonate Openeye Name: benzene; 4-methylbenzenesulfonate CAS Name: benzene; 4-methylbenzenesulfonate IUPAC Name: benzene; 4-methylbenzenesulfonate Traditional Name: benzene tosylate Formula: C13H13O3S- MolecularWeight: 249.30552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H6/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,8,9,10);1-6H/p-1