[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-fluoranyl-4-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-3-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-fluoranyl-4-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-3-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[(2R,3S,4R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-6-fluoro-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-6-fluoro-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[(2R,3S,4R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-6-fluoro-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[(2R,3S,4R,5R,6S)-4-benzoyloxy-2-(benzoyloxymethyl)-6-fluoro-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C57H47Cl3FNO17 MolecularWeight: 1143.336983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3C(OC(C(C3OC(=O)C4=CC=CC=C4)NC(=O)OCC(Cl)(Cl)Cl)F)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C4=CC=CC=C4)NC(=O)OCC(Cl)(Cl)Cl)F)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C57H47Cl3FNO17/c58-57(59,60)33-72-56(69)62-42-45(76-52(66)37-25-13-4-14-26-37)43(40(73-48(42)61)31-70-49(63)34-19-7-1-8-20-34)79-55-47(78-54(68)39-29-17-6-18-30-39)46(77-53(67)38-27-15-5-16-28-38)44(75-51(65)36-23-11-3-12-24-36)41(74-55)32-71-50(64)35-21-9-2-10-22-35/h1-30,40-48,55H,31-33H2,(H,62,69)/t40-,41-,42-,43-,44+,45-,46+,47-,48-,55+/m1/s1