ethane-1,2-diol; 4-methylbenzenesulfonate

Systemtic Name: ethane-1,2-diol; 4-methylbenzenesulfonate Openeye Name: ethylene glycol; 4-methylbenzenesulfonate CAS Name: ethane-1,2-diol; 4-methylbenzenesulfonate IUPAC Name: ethane-1,2-diol; 4-methylbenzenesulfonate Traditional Name: ethylene glycol tosylate Formula: C9H13O5S- MolecularWeight: 233.26152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2H6O2/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h2-5H,1H3,(H,8,9,10);3-4H,1-2H2/p-1