1-(phenylsulfonyl)hept-2-yn-4-yl ethanoate

Systemtic Name: 1-(phenylsulfonyl)hept-2-yn-4-yl ethanoate Openeye Name: [4-(benzenesulfonyl)-1-propyl-but-2-ynyl] acetate CAS Name: acetic acid 1-(benzenesulfonyl)hept-2-yn-4-yl ester IUPAC Name: 1-(benzenesulfonyl)hept-2-yn-4-yl acetate Traditional Name: acetic acid (4-besyl-1-propyl-but-2-ynyl) ester Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O4S/c1-3-8-14(19-13(2)16)9-7-12-20(17,18)15-10-5-4-6-11-15/h4-6,10-11,14H,3,8,12H2,1-2H3