[(2R,3R,4S)-4-cyano-2,3,4-tris(phenylcarbonyloxy)butyl] benzoate

Systemtic Name: [(2R,3R,4S)-4-cyano-2,3,4-tris(phenylcarbonyloxy)butyl] benzoate Openeye Name: [(2R,3R,4S)-2,3,4-tribenzoyloxy-4-cyano-butyl] benzoate CAS Name: benzoic acid [(2R,3R,4S)-2,3,4-tribenzoyloxy-4-cyanobutyl] ester IUPAC Name: [(2R,3R,4S)-2,3,4-tribenzoyloxy-4-cyanobutyl] benzoate Traditional Name: benzoic acid [(2R,3R,4S)-2,3,4-tribenzoyloxy-4-cyano-butyl] ester Formula: C33H25NO8 MolecularWeight: 563.5535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(C(C(C#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@H]([C@@H]([C@H](C#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H25NO8/c34-21-27(40-31(36)24-15-7-2-8-16-24)29(42-33(38)26-19-11-4-12-20-26)28(41-32(37)25-17-9-3-10-18-25)22-39-30(35)23-13-5-1-6-14-23/h1-20,27-29H,22H2/t27-,28+,29+/m0/s1