4-methylbenzenesulfonate; 2-methylbutane

Systemtic Name: 4-methylbenzenesulfonate; 2-methylbutane Openeye Name: 4-methylbenzenesulfonate; 2-methylbutane CAS Name: 4-methylbenzenesulfonate; 2-methylbutane IUPAC Name: 4-methylbenzenesulfonate; 2-methylbutane Traditional Name: isopentane tosylate Formula: C12H19O3S- MolecularWeight: 243.34246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C5H12/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-5(2)3/h2-5H,1H3,(H,8,9,10);5H,4H2,1-3H3/p-1