[(2S,4R)-4-(4-bromophenyl)carbonyloxy-4-cyclohexyl-butan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2S,4R)-4-(4-bromophenyl)carbonyloxy-4-cyclohexyl-butan-2-yl] 4-bromanylbenzoate Openeye Name: [(1S,3R)-3-(4-bromobenzoyl)oxy-3-cyclohexyl-1-methyl-propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S,4R)-4-[(4-bromophenyl)-oxomethoxy]-4-cyclohexylbutan-2-yl] ester IUPAC Name: [(2S,4R)-4-(4-bromobenzoyl)oxy-4-cyclohexylbutan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,3R)-3-(4-bromobenzoyl)oxy-3-cyclohexyl-1-methyl-propyl] ester Formula: C24H26Br2O4 MolecularWeight: 538.26884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1CCCCC1)OC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C[C@H](C1CCCCC1)OC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H26Br2O4/c1-16(29-23(27)18-7-11-20(25)12-8-18)15-22(17-5-3-2-4-6-17)30-24(28)19-9-13-21(26)14-10-19/h7-14,16-17,22H,2-6,15H2,1H3/t16-,22+/m0/s1