4-methylbenzenesulfonate; 5-methyl-2-propan-2-yl-cyclohexan-1-ol

Systemtic Name: 4-methylbenzenesulfonate; 5-methyl-2-propan-2-yl-cyclohexan-1-ol Openeye Name: 2-isopropyl-5-methyl-cyclohexanol; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 5-methyl-2-propan-2-yl-1-cyclohexanol IUPAC Name: 4-methylbenzenesulfonate; 5-methyl-2-propan-2-ylcyclohexan-1-ol Traditional Name: 2-isopropyl-5-methyl-cyclohexanol tosylate Formula: C17H27O4S- MolecularWeight: 327.45888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)O)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1CCC(C(C1)O)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H20O.C7H8O3S/c1-7(2)9-5-4-8(3)6-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h7-11H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1