[(2R,3R,4S,5R,6R)-3,4,5-tris[[2,5-bis(fluoranyl)phenyl]carbonyloxy]-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanylidene-3-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propoxy]oxan-2-yl]methyl 2,5-bis(fluoranyl)benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-tris[[2,5-bis(fluoranyl)phenyl]carbonyloxy]-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanylidene-3-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propoxy]oxan-2-yl]methyl 2,5-bis(fluoranyl)benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tris[(2,5-difluorobenzoyl)oxy]-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]tetrahydropyran-2-yl]methyl 2,5-difluorobenzoate CAS Name: 2,5-difluorobenzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tris[(2,5-difluorophenyl)-oxomethoxy]-6-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tris[(2,5-difluorobenzoyl)oxy]-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]oxan-2-yl]methyl 2,5-difluorobenzoate Traditional Name: 2,5-difluorobenzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tris[(2,5-difluorobenzoyl)oxy]-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-keto-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]tetrahydropyran-2-yl]methyl ester Formula: C58H34F13NO14 MolecularWeight: 1215.868102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(COC4C(C(C(C(O4)COC(=O)C5=C(C=CC(=C5)F)F)OC(=O)C6=C(C=CC(=C6)F)F)OC(=O)C7=C(C=CC(=C7)F)F)OC(=O)C8=C(C=CC(=C8)F)F)C(=O)OC9=C(C(=C(C(=C9F)F)F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C5=C(C=CC(=C5)F)F)OC(=O)C6=C(C=CC(=C6)F)F)OC(=O)C7=C(C=CC(=C7)F)F)OC(=O)C8=C(C=CC(=C8)F)F)C(=O)OC9=C(C(=C(C(=C9F)F)F)F)F

InChI

InChI=1S/C58H34F13NO14/c59-24-9-13-37(63)32(17-24)52(73)79-23-42-48(83-53(74)33-18-25(60)10-14-38(33)64)50(85-54(75)34-19-26(61)11-15-39(34)65)51(86-55(76)35-20-27(62)12-16-40(35)66)57(82-42)80-22-41(56(77)84-49-46(70)44(68)43(67)45(69)47(49)71)72-58(78)81-21-36-30-7-3-1-5-28(30)29-6-2-4-8-31(29)36/h1-20,36,41-42,48,50-51,57H,21-23H2,(H,72,78)/t41-,42+,48+,50-,51+,57+/m0/s1