[(2R)-2-oxidanylhexa-3,5-diynyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-oxidanylhexa-3,5-diynyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-hydroxyhexa-3,5-diynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxyhexa-3,5-diynyl] ester IUPAC Name: [(2R)-2-hydroxyhexa-3,5-diynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxyhexa-3,5-diynyl] ester Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C#CC#C)O

InChI

InChI=1S/C13H12O4S/c1-3-4-5-12(14)10-17-18(15,16)13-8-6-11(2)7-9-13/h1,6-9,12,14H,10H2,2H3/t12-/m1/s1