[(1R,5S)-2,6,6-trimethyl-5-methylsulfonyloxy-cyclohex-2-en-1-yl]methyl 4-bromanylbenzoate

Systemtic Name: [(1R,5S)-2,6,6-trimethyl-5-methylsulfonyloxy-cyclohex-2-en-1-yl]methyl 4-bromanylbenzoate Openeye Name: [(1R,5S)-2,6,6-trimethyl-5-methylsulfonyloxy-cyclohex-2-en-1-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1R,5S)-2,6,6-trimethyl-5-methylsulfonyloxy-1-cyclohex-2-enyl]methyl ester IUPAC Name: [(1R,5S)-2,6,6-trimethyl-5-methylsulfonyloxycyclohex-2-en-1-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,5S)-2,6,6-trimethyl-5-methylsulfonyloxy-cyclohex-2-en-1-yl]methyl ester Formula: C18H23BrO5S MolecularWeight: 431.34122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1COC(=O)C2=CC=C(C=C2)Br)(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=CC[C@@H](C([C@@H]1COC(=O)C2=CC=C(C=C2)Br)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C18H23BrO5S/c1-12-5-10-16(24-25(4,21)22)18(2,3)15(12)11-23-17(20)13-6-8-14(19)9-7-13/h5-9,15-16H,10-11H2,1-4H3/t15-,16+/m1/s1