sodium; methylbenzene; (4-methylphenyl)methanesulfonate

Systemtic Name: sodium; methylbenzene; (4-methylphenyl)methanesulfonate Openeye Name: sodium; p-tolylmethanesulfonate; toluene CAS Name: sodium; (4-methylphenyl)methanesulfonate; toluene IUPAC Name: sodium; (4-methylphenyl)methanesulfonate; toluene Traditional Name: sodium; p-tolylmethanesulfonate; toluene Formula: C15H17NaO3S MolecularWeight: 300.34845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H10O3S.C7H8.Na/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;/q;;+1/p-1