4-methylbenzenesulfonic acid; 1-methylsulfanylpropane

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methylsulfanylpropane Openeye Name: 4-methylbenzenesulfonic acid; 1-methylsulfanylpropane CAS Name: 4-methylbenzenesulfonic acid; 1-(methylthio)propane IUPAC Name: 4-methylbenzenesulfonic acid; 1-methylsulfanylpropane Traditional Name: 1-(methylthio)propane; tosylic acid Formula: C11H18O3S2 MolecularWeight: 262.38882

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCSC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C4H10S/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4-5-2/h2-5H,1H3,(H,8,9,10);3-4H2,1-2H3