[(3R)-oct-1-yn-3-yl] 4-methylbenzenesulfinate

Systemtic Name: [(3R)-oct-1-yn-3-yl] 4-methylbenzenesulfinate Openeye Name: [(1R)-1-ethynylhexyl] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [(3R)-oct-1-yn-3-yl] ester IUPAC Name: [(3R)-oct-1-yn-3-yl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [(1R)-1-amylprop-2-ynyl] ester Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O2S/c1-4-6-7-8-14(5-2)17-18(16)15-11-9-13(3)10-12-15/h2,9-12,14H,4,6-8H2,1,3H3/t14-,18?/m0/s1