[(2S,4S)-4-(4-bromophenyl)carbonyloxy-6-phenyl-hexan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2S,4S)-4-(4-bromophenyl)carbonyloxy-6-phenyl-hexan-2-yl] 4-bromanylbenzoate Openeye Name: [(1S,3S)-3-(4-bromobenzoyl)oxy-1-methyl-5-phenyl-pentyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S,4S)-4-[(4-bromophenyl)-oxomethoxy]-6-phenylhexan-2-yl] ester IUPAC Name: [(2S,4S)-4-(4-bromobenzoyl)oxy-6-phenylhexan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,3S)-3-(4-bromobenzoyl)oxy-1-methyl-5-phenyl-pentyl] ester Formula: C26H24Br2O4 MolecularWeight: 560.27436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C[C@H](CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H24Br2O4/c1-18(31-25(29)20-8-12-22(27)13-9-20)17-24(16-7-19-5-3-2-4-6-19)32-26(30)21-10-14-23(28)15-11-21/h2-6,8-15,18,24H,7,16-17H2,1H3/t18-,24-/m0/s1