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

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanylidene-3-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propoxy]-3,4,5-tris[(4-fluorophenyl)carbonyloxy]oxan-2-yl]methyl 4-fluoranylbenzoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]-3,4,5-tris[(4-fluorobenzoyl)oxy]tetrahydropyran-2-yl]methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(2R,3R,4S,5R,6R)-6-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]-3,4,5-tris[(4-fluorophenyl)-oxomethoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]-3,4,5-tris[(4-fluorobenzoyl)oxy]oxan-2-yl]methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(2R,3R,4S,5R,6R)-6-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-keto-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]-3,4,5-tris[(4-fluorobenzoyl)oxy]tetrahydropyran-2-yl]methyl ester Formula: C58H38F9NO14 MolecularWeight: 1143.906249

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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=CC=C(C=C5)F)OC(=O)C6=CC=C(C=C6)F)OC(=O)C7=CC=C(C=C7)F)OC(=O)C8=CC=C(C=C8)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=CC=C(C=C5)F)OC(=O)C6=CC=C(C=C6)F)OC(=O)C7=CC=C(C=C7)F)OC(=O)C8=CC=C(C=C8)F)C(=O)OC9=C(C(=C(C(=C9F)F)F)F)F

InChI

InChI=1S/C58H38F9NO14/c59-32-17-9-28(10-18-32)52(69)75-27-42-48(79-53(70)29-11-19-33(60)20-12-29)50(81-54(71)30-13-21-34(61)22-14-30)51(82-55(72)31-15-23-35(62)24-16-31)57(78-42)76-26-41(56(73)80-49-46(66)44(64)43(63)45(65)47(49)67)68-58(74)77-25-40-38-7-3-1-5-36(38)37-6-2-4-8-39(37)40/h1-24,40-42,48,50-51,57H,25-27H2,(H,68,74)/t41-,42+,48+,50-,51+,57+/m0/s1