4-methylbenzenesulfonate; 2-methylbenzoate

Systemtic Name: 4-methylbenzenesulfonate; 2-methylbenzoate Openeye Name: 4-methylbenzenesulfonate; 2-methylbenzoate CAS Name: 4-methylbenzenesulfonate; 2-methylbenzoate IUPAC Name: 4-methylbenzenesulfonate; 2-methylbenzoate Traditional Name: 2-methylbenzoate tosylate Formula: C15H14O5S-2 MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C8H8O2.C7H8O3S/c1-6-4-2-3-5-7(6)8(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,9,10);2-5H,1H3,(H,8,9,10)/p-2