4-oxidanylbut-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-oxidanylbut-2-ynyl 4-methylbenzenesulfonate Openeye Name: 4-hydroxybut-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-hydroxybut-2-ynyl ester IUPAC Name: 4-hydroxybut-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-hydroxybut-2-ynyl ester Formula: C11H12O4S MolecularWeight: 240.27558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-2-8-12/h4-7,12H,8-9H2,1H3