[(E,1S,7S)-1-cyclohexyl-7-methylsulfonyloxy-oct-2-enyl] benzoate

Systemtic Name: [(E,1S,7S)-1-cyclohexyl-7-methylsulfonyloxy-oct-2-enyl] benzoate Openeye Name: [(E,1S,7S)-1-cyclohexyl-7-methylsulfonyloxy-oct-2-enyl] benzoate CAS Name: benzoic acid [(E,1S,7S)-1-cyclohexyl-7-methylsulfonyloxyoct-2-enyl] ester IUPAC Name: [(E,1S,7S)-1-cyclohexyl-7-methylsulfonyloxyoct-2-enyl] benzoate Traditional Name: benzoic acid [(E,1S,7S)-1-cyclohexyl-7-methylsulfonyloxy-oct-2-enyl] ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC(C1CCCCC1)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

C[C@@H](CCC/C=C/[C@H](C1CCCCC1)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C22H32O5S/c1-18(27-28(2,24)25)12-6-3-11-17-21(19-13-7-4-8-14-19)26-22(23)20-15-9-5-10-16-20/h5,9-11,15-19,21H,3-4,6-8,12-14H2,1-2H3/b17-11+/t18-,21+/m0/s1