[1-phenyl-6-(phenylsulfonyl)hex-4-yn-2-yl] ethanoate

Systemtic Name: [1-phenyl-6-(phenylsulfonyl)hex-4-yn-2-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-benzyl-pent-3-ynyl] acetate CAS Name: acetic acid [6-(benzenesulfonyl)-1-phenylhex-4-yn-2-yl] ester IUPAC Name: [6-(benzenesulfonyl)-1-phenylhex-4-yn-2-yl] acetate Traditional Name: acetic acid (1-benzyl-5-besyl-pent-3-ynyl) ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC#CCS(=O)(=O)C1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CC#CCS(=O)(=O)C1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C20H20O4S/c1-17(21)24-19(16-18-10-4-2-5-11-18)12-8-9-15-25(22,23)20-13-6-3-7-14-20/h2-7,10-11,13-14,19H,12,15-16H2,1H3