[(3R,4S,5R,6S)-6-imidazol-1-yl-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(3R,4S,5R,6S)-6-imidazol-1-yl-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-imidazol-1-yl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-(1-imidazolyl)-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-imidazol-1-yloxan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-imidazol-1-yl-tetrahydropyran-3-yl] ester Formula: C29H24N2O7 MolecularWeight: 512.51006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C=CN=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@H](O1)N2C=CN=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H24N2O7/c32-27(20-10-4-1-5-11-20)36-23-18-35-26(31-17-16-30-19-31)25(38-29(34)22-14-8-3-9-15-22)24(23)37-28(33)21-12-6-2-7-13-21/h1-17,19,23-26H,18H2/t23-,24+,25-,26+/m1/s1