[(5R)-6-methyl-5-methylsulfonyloxy-hept-3-ynyl] benzoate

Systemtic Name: [(5R)-6-methyl-5-methylsulfonyloxy-hept-3-ynyl] benzoate Openeye Name: [(5R)-6-methyl-5-methylsulfonyloxy-hept-3-ynyl] benzoate CAS Name: benzoic acid [(5R)-6-methyl-5-methylsulfonyloxyhept-3-ynyl] ester IUPAC Name: [(5R)-6-methyl-5-methylsulfonyloxyhept-3-ynyl] benzoate Traditional Name: benzoic acid [(5R)-6-methyl-5-methylsulfonyloxy-hept-3-ynyl] ester Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CCCOC(=O)C1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CC(C)[C@H](C#CCCOC(=O)C1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C16H20O5S/c1-13(2)15(21-22(3,18)19)11-7-8-12-20-16(17)14-9-5-4-6-10-14/h4-6,9-10,13,15H,8,12H2,1-3H3/t15-/m0/s1