4-methylbenzenesulfonate; 2,2,4-trimethylpentan-1-ol

Systemtic Name: 4-methylbenzenesulfonate; 2,2,4-trimethylpentan-1-ol Openeye Name: 4-methylbenzenesulfonate; 2,2,4-trimethylpentan-1-ol CAS Name: 4-methylbenzenesulfonate; 2,2,4-trimethyl-1-pentanol IUPAC Name: 4-methylbenzenesulfonate; 2,2,4-trimethylpentan-1-ol Traditional Name: 2,2,4-trimethylpentan-1-ol tosylate Formula: C15H25O4S- MolecularWeight: 301.4216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18O.C7H8O3S/c1-7(2)5-8(3,4)6-9;1-6-2-4-7(5-3-6)11(8,9)10/h7,9H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/p-1