(4-phenyl-1-prop-1-ynyl-cyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (4-phenyl-1-prop-1-ynyl-cyclohexyl) 4-methylbenzenesulfonate Openeye Name: (4-phenyl-1-prop-1-ynyl-cyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-phenyl-1-prop-1-ynylcyclohexyl) ester IUPAC Name: (4-phenyl-1-prop-1-ynylcyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-phenyl-1-prop-1-ynyl-cyclohexyl) ester Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC(CC1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC#CC1(CCC(CC1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H24O3S/c1-3-15-22(25-26(23,24)21-11-9-18(2)10-12-21)16-13-20(14-17-22)19-7-5-4-6-8-19/h4-12,20H,13-14,16-17H2,1-2H3