[2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C19H24BrClO4 MolecularWeight: 431.74846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)C(C)C

InChI

InChI=1S/C19H24BrClO4/c1-11(2)14-6-4-12(3)8-17(14)25-18(22)10-24-19(23)15-9-13(20)5-7-16(15)21/h5,7,9,11-12,14,17H,4,6,8,10H2,1-3H3/t12-,14-,17-/m0/s1