1-(phenylsulfonyl)non-2-yn-5-yl ethanoate

Systemtic Name: 1-(phenylsulfonyl)non-2-yn-5-yl ethanoate Openeye Name: [5-(benzenesulfonyl)-1-butyl-pent-3-ynyl] acetate CAS Name: acetic acid 1-(benzenesulfonyl)non-2-yn-5-yl ester IUPAC Name: 1-(benzenesulfonyl)non-2-yn-5-yl acetate Traditional Name: acetic acid (5-besyl-1-butyl-pent-3-ynyl) ester Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC#CCS(=O)(=O)C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCC(CC#CCS(=O)(=O)C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C17H22O4S/c1-3-4-10-16(21-15(2)18)11-8-9-14-22(19,20)17-12-6-5-7-13-17/h5-7,12-13,16H,3-4,10-11,14H2,1-2H3