[(1R,4S)-4-[(4-methoxyphenyl)methoxymethyl]cyclobut-2-en-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1R,4S)-4-[(4-methoxyphenyl)methoxymethyl]cyclobut-2-en-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(1R,4S)-4-[(4-methoxyphenyl)methoxymethyl]cyclobut-2-en-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,4S)-4-[(4-methoxyphenyl)methoxymethyl]-1-cyclobut-2-enyl]methyl ester IUPAC Name: [(1R,4S)-4-[(4-methoxyphenyl)methoxymethyl]cyclobut-2-en-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,4S)-4-(p-anisyloxymethyl)cyclobut-2-en-1-yl]methyl ester Formula: C21H24O5S MolecularWeight: 388.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C=CC2COCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C=C[C@@H]2COCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24O5S/c1-16-3-11-21(12-4-16)27(22,23)26-15-19-8-7-18(19)14-25-13-17-5-9-20(24-2)10-6-17/h3-12,18-19H,13-15H2,1-2H3/t18-,19+/m1/s1