pent-3-yn-2-yl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CC#CC(C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H14O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h6-9,11H,1-3H3