(3-methyl-1-propan-2-yl-cyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-1-propan-2-yl-cyclohexyl) 4-methylbenzenesulfonate Openeye Name: (1-isopropyl-3-methyl-cyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-1-propan-2-ylcyclohexyl) ester IUPAC Name: (3-methyl-1-propan-2-ylcyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-isopropyl-3-methyl-cyclohexyl) ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1CCCC(C1)(C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H26O3S/c1-13(2)17(11-5-6-15(4)12-17)20-21(18,19)16-9-7-14(3)8-10-16/h7-10,13,15H,5-6,11-12H2,1-4H3