4-methylbenzenesulfonate; 1-methyl-4-propyl-cyclohexane

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-4-propyl-cyclohexane Openeye Name: 4-methylbenzenesulfonate; 1-methyl-4-propyl-cyclohexane CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-propylcyclohexane IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-4-propylcyclohexane Traditional Name: 1-methyl-4-propyl-cyclohexane tosylate Formula: C17H27O3S- MolecularWeight: 311.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC1CCC(CC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H20.C7H8O3S/c1-3-4-10-7-5-9(2)6-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h9-10H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1