methylbenzene; 2-methylbenzenesulfonate

Systemtic Name: methylbenzene; 2-methylbenzenesulfonate Openeye Name: 2-methylbenzenesulfonate; toluene CAS Name: 2-methylbenzenesulfonate; toluene IUPAC Name: 2-methylbenzenesulfonate; toluene Traditional Name: 2-methylbesylate; toluene Formula: C14H15O3S- MolecularWeight: 263.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

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