[(2R,4S)-4-(4-bromophenyl)carbonyloxy-5-methyl-hexan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2R,4S)-4-(4-bromophenyl)carbonyloxy-5-methyl-hexan-2-yl] 4-bromanylbenzoate Openeye Name: [(1R,3S)-3-(4-bromobenzoyl)oxy-1,4-dimethyl-pentyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R,4S)-4-[(4-bromophenyl)-oxomethoxy]-5-methylhexan-2-yl] ester IUPAC Name: [(2R,4S)-4-(4-bromobenzoyl)oxy-5-methylhexan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,3S)-3-(4-bromobenzoyl)oxy-1,4-dimethyl-pentyl] ester Formula: C21H22Br2O4 MolecularWeight: 498.20498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C)OC(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22Br2O4/c1-13(2)19(27-21(25)16-6-10-18(23)11-7-16)12-14(3)26-20(24)15-4-8-17(22)9-5-15/h4-11,13-14,19H,12H2,1-3H3/t14-,19+/m1/s1