(4-ethyl-4-oxidanyl-hex-2-ynyl) 4-methylbenzenesulfonate

Systemtic Name: (4-ethyl-4-oxidanyl-hex-2-ynyl) 4-methylbenzenesulfonate Openeye Name: (4-ethyl-4-hydroxy-hex-2-ynyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-ethyl-4-hydroxyhex-2-ynyl) ester IUPAC Name: (4-ethyl-4-hydroxyhex-2-ynyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-ethyl-4-hydroxy-hex-2-ynyl) ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CCOS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCC(CC)(C#CCOS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C15H20O4S/c1-4-15(16,5-2)11-6-12-19-20(17,18)14-9-7-13(3)8-10-14/h7-10,16H,4-5,12H2,1-3H3