pent-4-yn-2-yl 4-methylbenzenesulfonate

Systemtic Name: pent-4-yn-2-yl 4-methylbenzenesulfonate Openeye Name: 1-methylbut-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid pent-4-yn-2-yl ester IUPAC Name: pent-4-yn-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-methylbut-3-ynyl ester Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h1,6-9,11H,5H2,2-3H3