[(1S,2S)-2-methylcyclobutyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-methylcyclobutyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-methylcyclobutyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-methylcyclobutyl]methyl ester IUPAC Name: [(1S,2S)-2-methylcyclobutyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-methylcyclobutyl]methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC1COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1CC[C@@H]1COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H18O3S/c1-10-3-7-13(8-4-10)17(14,15)16-9-12-6-5-11(12)2/h3-4,7-8,11-12H,5-6,9H2,1-2H3/t11-,12+/m0/s1