(2-cyclohexyl-2-phenyl-ethyl) 4-methylbenzenesulfonate

Systemtic Name: (2-cyclohexyl-2-phenyl-ethyl) 4-methylbenzenesulfonate Openeye Name: (2-cyclohexyl-2-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyclohexyl-2-phenylethyl) ester IUPAC Name: (2-cyclohexyl-2-phenylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyclohexyl-2-phenyl-ethyl) ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26O3S/c1-17-12-14-20(15-13-17)25(22,23)24-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,21H,3,6-7,10-11,16H2,1H3