[(2R,3R,4S,5R,6R)-4-[(4-azido-3-chloranyl-phenyl)methoxy]-3,5,6-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-4-[(4-azido-3-chloranyl-phenyl)methoxy]-3,5,6-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-4-[(4-azido-3-chloro-phenyl)methoxy]-3,5,6-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-4-[(4-azido-3-chlorophenyl)methoxy]-3,5,6-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-4-[(4-azido-3-chlorophenyl)methoxy]-3,5,6-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-4-(4-azido-3-chloro-benzyl)oxy-3,5,6-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C41H32ClN3O10 MolecularWeight: 762.15988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC(=C(C=C5)N=[N+]=[N-])Cl)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC(=C(C=C5)N=[N+]=[N-])Cl)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C41H32ClN3O10/c42-31-23-26(21-22-32(31)44-45-43)24-50-35-34(53-38(47)28-15-7-2-8-16-28)33(25-51-37(46)27-13-5-1-6-14-27)52-41(55-40(49)30-19-11-4-12-20-30)36(35)54-39(48)29-17-9-3-10-18-29/h1-23,33-36,41H,24-25H2/t33-,34-,35+,36-,41-/m1/s1