[(2S,4R)-4-(4-bromophenyl)carbonyloxy-5-ethyl-heptan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2S,4R)-4-(4-bromophenyl)carbonyloxy-5-ethyl-heptan-2-yl] 4-bromanylbenzoate Openeye Name: [(1S,3R)-3-(4-bromobenzoyl)oxy-4-ethyl-1-methyl-hexyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S,4R)-4-[(4-bromophenyl)-oxomethoxy]-5-ethylheptan-2-yl] ester IUPAC Name: [(2S,4R)-4-(4-bromobenzoyl)oxy-5-ethylheptan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,3R)-3-(4-bromobenzoyl)oxy-4-ethyl-1-methyl-hexyl] ester Formula: C23H26Br2O4 MolecularWeight: 526.25814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Br2O4/c1-4-16(5-2)21(29-23(27)18-8-12-20(25)13-9-18)14-15(3)28-22(26)17-6-10-19(24)11-7-17/h6-13,15-16,21H,4-5,14H2,1-3H3/t15-,21+/m0/s1