[(2R,3S,5S,6S)-1,7-bis(bromanyl)-3,4,5,6-tetrakis(phenylcarbonyloxy)heptan-2-yl] benzoate

Systemtic Name: [(2R,3S,5S,6S)-1,7-bis(bromanyl)-3,4,5,6-tetrakis(phenylcarbonyloxy)heptan-2-yl] benzoate Openeye Name: [(1R,2S,4S,5S)-2,3,4,5-tetrabenzoyloxy-6-bromo-1-(bromomethyl)hexyl] benzoate CAS Name: benzoic acid [(2R,3S,5S,6S)-3,4,5,6-tetrabenzoyloxy-1,7-dibromoheptan-2-yl] ester IUPAC Name: [(2R,3S,5S,6S)-3,4,5,6-tetrabenzoyloxy-1,7-dibromoheptan-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S,4S,5S)-2,3,4,5-tetrabenzoyloxy-6-bromo-1-(bromomethyl)hexyl] ester Formula: C42H34Br2O10 MolecularWeight: 858.52136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CBr)C(C(C(C(CBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@H](CBr)[C@H](C([C@@H]([C@H](CBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C42H34Br2O10/c43-26-33(50-38(45)28-16-6-1-7-17-28)35(52-40(47)30-20-10-3-11-21-30)37(54-42(49)32-24-14-5-15-25-32)36(53-41(48)31-22-12-4-13-23-31)34(27-44)51-39(46)29-18-8-2-9-19-29/h1-25,33-37H,26-27H2/t33-,34+,35-,36-,37?/m1/s1