methyl [1-phenyl-8-(phenylsulfonyl)oct-4-yn-3-yl] carbonate

Systemtic Name: methyl [1-phenyl-8-(phenylsulfonyl)oct-4-yn-3-yl] carbonate Openeye Name: [6-(benzenesulfonyl)-1-phenethyl-hex-2-ynyl] methyl carbonate CAS Name: carbonic acid [8-(benzenesulfonyl)-1-phenyloct-4-yn-3-yl] methyl ester IUPAC Name: [8-(benzenesulfonyl)-1-phenyloct-4-yn-3-yl] methyl carbonate Traditional Name: carbonic acid (6-besyl-1-phenethyl-hex-2-ynyl) methyl ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC(CCC1=CC=CC=C1)C#CCCCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)OC(CCC1=CC=CC=C1)C#CCCCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24O5S/c1-26-22(23)27-20(17-16-19-11-5-2-6-12-19)13-7-4-10-18-28(24,25)21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20H,4,10,16-18H2,1H3