[(2R)-2-[(2S,3S,4R,5R)-5-[(1R)-1-[(2S,3S,4R,5S)-3-acetyloxy-4-(2,2-dimethylpropanoyloxy)-5-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxolan-2-yl]-2-(2,2-dimethylpropanoyloxy)ethoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl] benzoate

Systemtic Name: [(2R)-2-[(2S,3S,4R,5R)-5-[(1R)-1-[(2S,3S,4R,5S)-3-acetyloxy-4-(2,2-dimethylpropanoyloxy)-5-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxolan-2-yl]-2-(2,2-dimethylpropanoyloxy)ethoxy]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl] benzoate Openeye Name: [(2R)-2-[(2S,3S,4R,5R)-5-[(1R)-1-[(2S,3S,4R,5S)-3-acetoxy-4-(2,2-dimethylpropanoyloxy)-5-(2,2,2-trichloroethanimidoyl)oxy-tetrahydrofuran-2-yl]-2-(2,2-dimethylpropanoyloxy)ethoxy]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]-2-benzoyloxy-ethyl] benzoate CAS Name: benzoic acid [(2R)-2-[(2S,3S,4R,5R)-5-[(1R)-1-[(2S,3S,4R,5S)-3-acetyloxy-4-(2,2-dimethyl-1-oxopropoxy)-5-(2,2,2-trichloro-1-iminoethoxy)-2-oxolanyl]-2-(2,2-dimethyl-1-oxopropoxy)ethoxy]-3,4-dibenzoyloxy-2-oxolanyl]-2-benzoyloxyethyl] ester IUPAC Name: [(2R)-2-[(2S,3S,4R,5R)-5-[(1R)-1-[(2S,3S,4R,5S)-3-acetyloxy-4-(2,2-dimethylpropanoyloxy)-5-(2,2,2-trichloroethanimidoyl)oxyoxolan-2-yl]-2-(2,2-dimethylpropanoyloxy)ethoxy]-3,4-dibenzoyloxyoxolan-2-yl]-2-benzoyloxyethyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(2S,3S,4R,5R)-5-[(1R)-1-[(2S,3S,4R,5S)-3-acetoxy-4-pivaloyloxy-5-(2,2,2-trichloroacetimidoyl)oxy-tetrahydrofuran-2-yl]-2-pivaloyloxy-ethoxy]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]-2-benzoyloxy-ethyl] ester Formula: C54H56Cl3NO18 MolecularWeight: 1113.37734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1C(COC(=O)C(C)(C)C)OC2C(C(C(O2)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=N)C(Cl)(Cl)Cl)OC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@@H](O[C@H]1[C@@H](COC(=O)C(C)(C)C)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=N)C(Cl)(Cl)Cl)OC(=O)C(C)(C)C

InChI

InChI=1S/C54H56Cl3NO18/c1-30(59)68-39-38(74-48(76-49(58)54(55,56)57)42(39)75-51(65)53(5,6)7)36(29-67-50(64)52(2,3)4)70-47-41(72-46(63)34-26-18-11-19-27-34)40(71-45(62)33-24-16-10-17-25-33)37(73-47)35(69-44(61)32-22-14-9-15-23-32)28-66-43(60)31-20-12-8-13-21-31/h8-27,35-42,47-48,58H,28-29H2,1-7H3/t35-,36-,37+,38+,39+,40+,41-,42-,47-,48+/m1/s1