methylbenzene; 4-methylbenzenesulfonic acid

Systemtic Name: methylbenzene; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; toluene CAS Name: 4-methylbenzenesulfonic acid; toluene IUPAC Name: 4-methylbenzenesulfonic acid; toluene Traditional Name: toluene; tosylic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C7H8/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-5-3-2-4-6-7/h2-5H,1H3,(H,8,9,10);2-6H,1H3