2-oxidanylidenehex-5-yn-3-yl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanylidenehex-5-yn-3-yl 4-methylbenzenesulfonate Openeye Name: 1-acetylbut-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-oxohex-5-yn-3-yl ester IUPAC Name: 2-oxohex-5-yn-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-acetylbut-3-ynyl ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC#C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC#C)C(=O)C

InChI

InChI=1S/C13H14O4S/c1-4-5-13(11(3)14)17-18(15,16)12-8-6-10(2)7-9-12/h1,6-9,13H,5H2,2-3H3