[(1S,6S,7R,8R,8aS)-6,7,8-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate

Systemtic Name: [(1S,6S,7R,8R,8aS)-6,7,8-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate Openeye Name: [(1S,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate CAS Name: benzoic acid [(1S,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ester IUPAC Name: [(1S,6S,7R,8R,8aS)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate Traditional Name: benzoic acid [(1S,6S,7R,8R,8aS)-6,7,8-trihydroxyindolizidin-1-yl] ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CC(C(C(C2C1OC(=O)C3=CC=CC=C3)O)O)O

Isomeric SMILES

C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1OC(=O)C3=CC=CC=C3)O)O)O

InChI

InChI=1S/C15H19NO5/c17-10-8-16-7-6-11(12(16)14(19)13(10)18)21-15(20)9-4-2-1-3-5-9/h1-5,10-14,17-19H,6-8H2/t10-,11-,12+,13+,14+/m0/s1