methylbenzene; (4-methylphenyl)methanesulfonic acid

Systemtic Name: methylbenzene; (4-methylphenyl)methanesulfonic acid Openeye Name: p-tolylmethanesulfonic acid; toluene CAS Name: (4-methylphenyl)methanesulfonic acid; toluene IUPAC Name: (4-methylphenyl)methanesulfonic acid; toluene Traditional Name: p-tolylmethanesulfonic acid; toluene Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C8H10O3S.C7H8/c1-7-2-4-8(5-3-7)6-12(9,10)11;1-7-5-3-2-4-6-7/h2-5H,6H2,1H3,(H,9,10,11);2-6H,1H3