[(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3S,4R,5R,6S)-4-benzyloxy-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3S,4R,5R,6S)-5-(1,3-dioxo-2-isoindolyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3S,4R,5R,6S)-4-benzoxy-2-(benzoxymethyl)-5-phthalimido-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-3-yl] ester Formula: C35H33Cl3N2O9 MolecularWeight: 732.00352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(OC(C(C1OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OC(=N)C(Cl)(Cl)Cl)COCC5=CC=CC=C5

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OC(=N)C(Cl)(Cl)Cl)COCC5=CC=CC=C5

InChI

InChI=1S/C35H33Cl3N2O9/c1-21(41)16-17-27(42)48-29-26(20-45-18-22-10-4-2-5-11-22)47-33(49-34(39)35(36,37)38)28(30(29)46-19-23-12-6-3-7-13-23)40-31(43)24-14-8-9-15-25(24)32(40)44/h2-15,26,28-30,33,39H,16-20H2,1H3/t26-,28-,29-,30-,33+/m1/s1