[(1S,2R)-2-(2-ethoxyethoxy)-3,3-dimethyl-cyclobutyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2R)-2-(2-ethoxyethoxy)-3,3-dimethyl-cyclobutyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2R)-2-(2-ethoxyethoxy)-3,3-dimethyl-cyclobutyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2R)-2-(2-ethoxyethoxy)-3,3-dimethylcyclobutyl]methyl ester IUPAC Name: [(1S,2R)-2-(2-ethoxyethoxy)-3,3-dimethylcyclobutyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2R)-2-(2-ethoxyethoxy)-3,3-dimethyl-cyclobutyl]methyl ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1C(CC1(C)C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOCCO[C@@H]1[C@@H](CC1(C)C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H28O5S/c1-5-21-10-11-22-17-15(12-18(17,3)4)13-23-24(19,20)16-8-6-14(2)7-9-16/h6-9,15,17H,5,10-13H2,1-4H3/t15-,17+/m0/s1