3-(cyclohexen-1-yl)prop-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 3-(cyclohexen-1-yl)prop-2-ynyl 4-methylbenzenesulfonate Openeye Name: 3-(cyclohexen-1-yl)prop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(1-cyclohexenyl)prop-2-ynyl ester IUPAC Name: 3-(cyclohexen-1-yl)prop-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(cyclohexen-1-yl)prop-2-ynyl ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CCCCC2

InChI

InChI=1S/C16H18O3S/c1-14-9-11-16(12-10-14)20(17,18)19-13-5-8-15-6-3-2-4-7-15/h6,9-12H,2-4,7,13H2,1H3