[(2R,3R,4R)-5-bromanyl-5-cyano-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R)-5-bromanyl-5-cyano-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R)-3,4-dibenzoyloxy-5-bromo-5-cyano-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R)-3,4-dibenzoyloxy-5-bromo-5-cyano-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R)-3,4-dibenzoyloxy-5-bromo-5-cyanooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R)-3,4-dibenzoyloxy-5-bromo-5-cyano-tetrahydrofuran-2-yl]methyl ester Formula: C27H20BrNO7 MolecularWeight: 550.3542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)(C#N)Br)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H](C(O2)(C#N)Br)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H20BrNO7/c28-27(17-29)23(35-26(32)20-14-8-3-9-15-20)22(34-25(31)19-12-6-2-7-13-19)21(36-27)16-33-24(30)18-10-4-1-5-11-18/h1-15,21-23H,16H2/t21-,22-,23-,27?/m1/s1