[(1R,4S,5S,6S)-2-iodanyl-6-oxidanyl-4,5-bis(phenylcarbonyloxy)cyclohex-2-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1R,4S,5S,6S)-2-iodanyl-6-oxidanyl-4,5-bis(phenylcarbonyloxy)cyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [(1R,4S,5S,6S)-4,5-dibenzoyloxy-6-hydroxy-2-iodo-cyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,4S,5S,6S)-4,5-dibenzoyloxy-6-hydroxy-2-iodo-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,4S,5S,6S)-4,5-dibenzoyloxy-6-hydroxy-2-iodocyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,4S,5S,6S)-4,5-dibenzoyloxy-6-hydroxy-2-iodo-cyclohex-2-en-1-yl] ester Formula: C27H20INO9 MolecularWeight: 629.35347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C=C(C(C(C2OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@H]2C=C([C@@H]([C@H]([C@@H]2OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])I

InChI

InChI=1S/C27H20INO9/c28-20-15-21(36-25(31)16-7-3-1-4-8-16)24(38-26(32)17-9-5-2-6-10-17)22(30)23(20)37-27(33)18-11-13-19(14-12-18)29(34)35/h1-15,21-24,30H/t21-,22+,23-,24+/m0/s1