[(1S,2S)-1-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-cyclobutyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-1-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-cyclobutyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-isopropenyl-1-(3-methylbut-2-enyl)cyclobutyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-1-(3-methylbut-2-enyl)-2-(1-methylethenyl)cyclobutyl]methyl ester IUPAC Name: [(1S,2S)-1-(3-methylbut-2-enyl)-2-prop-1-en-2-ylcyclobutyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-isopropenyl-1-(3-methylbut-2-enyl)cyclobutyl]methyl ester Formula: C20H28O3S MolecularWeight: 348.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCC2C(=C)C)CC=C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3S/c1-15(2)10-12-20(13-11-19(20)16(3)4)14-23-24(21,22)18-8-6-17(5)7-9-18/h6-10,19H,3,11-14H2,1-2,4-5H3/t19-,20-/m0/s1