4-methylbenzenesulfonate; 3-methylsulfanylpropan-1-ol

Systemtic Name: 4-methylbenzenesulfonate; 3-methylsulfanylpropan-1-ol Openeye Name: 4-methylbenzenesulfonate; 3-methylsulfanylpropan-1-ol CAS Name: 4-methylbenzenesulfonate; 3-(methylthio)-1-propanol IUPAC Name: 4-methylbenzenesulfonate; 3-methylsulfanylpropan-1-ol Traditional Name: 3-(methylthio)propan-1-ol tosylate Formula: C11H17O4S2- MolecularWeight: 277.38028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H10OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5/h2-5H,1H3,(H,8,9,10);5H,2-4H2,1H3/p-1