2-cyclohexyl-2-phenyl-ethanol; 4-methylbenzenesulfonate

Systemtic Name: 2-cyclohexyl-2-phenyl-ethanol; 4-methylbenzenesulfonate Openeye Name: 2-cyclohexyl-2-phenyl-ethanol; 4-methylbenzenesulfonate CAS Name: 2-cyclohexyl-2-phenylethanol; 4-methylbenzenesulfonate IUPAC Name: 2-cyclohexyl-2-phenylethanol; 4-methylbenzenesulfonate Traditional Name: 2-cyclohexyl-2-phenyl-ethanol tosylate Formula: C21H27O4S- MolecularWeight: 375.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)C(CO)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)C(CO)C2=CC=CC=C2

InChI

InChI=1S/C14H20O.C7H8O3S/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,7-8,13-15H,2,5-6,9-11H2;2-5H,1H3,(H,8,9,10)/p-1