[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(1'S,2'S,4'R)-spiro[cyclopropane-1,3'-norbornane]-2'-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S,4R)-2-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]yl]methyl ester IUPAC Name: [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1'S,2'S,4'R)-spiro[cyclopropane-1,3'-norbornane]-2'-yl]methyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CCC(C3)C24CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@H]3CC[C@H](C3)C24CC4

InChI

InChI=1S/C17H22O3S/c1-12-2-6-15(7-3-12)21(18,19)20-11-16-13-4-5-14(10-13)17(16)8-9-17/h2-3,6-7,13-14,16H,4-5,8-11H2,1H3/t13-,14+,16-/m0/s1