(E,4S,5S)-5-(5-iodanyl-2-oxidanyl-phenyl)-4-phenoxy-5-(phenylcarbonylcarbamoyloxy)pent-2-enoic acid

Systemtic Name: (E,4S,5S)-5-(5-iodanyl-2-oxidanyl-phenyl)-4-phenoxy-5-(phenylcarbonylcarbamoyloxy)pent-2-enoic acid Openeye Name: (E,4S,5S)-5-(benzoylcarbamoyloxy)-5-(2-hydroxy-5-iodo-phenyl)-4-phenoxy-pent-2-enoic acid CAS Name: (E,4S,5S)-5-[benzamido(oxo)methoxy]-5-(2-hydroxy-5-iodophenyl)-4-phenoxy-2-pentenoic acid IUPAC Name: (E,4S,5S)-5-(benzoylcarbamoyloxy)-5-(2-hydroxy-5-iodophenyl)-4-phenoxypent-2-enoic acid Traditional Name: (E,4S,5S)-5-(benzoylcarbamoyloxy)-5-(2-hydroxy-5-iodo-phenyl)-4-phenoxy-pent-2-enoic acid Formula: C25H20INO7 MolecularWeight: 573.33327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)OC(C2=C(C=CC(=C2)I)O)C(C=CC(=O)O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)O[C@@H](C2=C(C=CC(=C2)I)O)[C@H](/C=C/C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C25H20INO7/c26-17-11-12-20(28)19(15-17)23(34-25(32)27-24(31)16-7-3-1-4-8-16)21(13-14-22(29)30)33-18-9-5-2-6-10-18/h1-15,21,23,28H,(H,29,30)(H,27,31,32)/b14-13+/t21-,23-/m0/s1