4-methylpent-1-yn-3-yl 4-methylbenzenesulfonate

Systemtic Name: 4-methylpent-1-yn-3-yl 4-methylbenzenesulfonate Openeye Name: 1-isopropylprop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-methylpent-1-yn-3-yl ester IUPAC Name: 4-methylpent-1-yn-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-isopropylprop-2-ynyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-5-13(10(2)3)16-17(14,15)12-8-6-11(4)7-9-12/h1,6-10,13H,2-4H3