[(2S,3R,4R,5S,6R)-2-[2-[[(2R,3S,4S,5R,6R)-6-(2-acetyloxyethoxy)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methoxy]ethoxymethyl]-4,5-bis(phenylcarbonyloxy)-6-(trichloromethylcarbamoyl)oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6R)-2-[2-[[(2R,3S,4S,5R,6R)-6-(2-acetyloxyethoxy)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methoxy]ethoxymethyl]-4,5-bis(phenylcarbonyloxy)-6-(trichloromethylcarbamoyl)oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6R)-2-[2-[[(2R,3S,4S,5R,6R)-6-(2-acetoxyethoxy)-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methoxy]ethoxymethyl]-4,5-dibenzoyloxy-6-(trichloromethylcarbamoyl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6R)-2-[2-[[(2R,3S,4S,5R,6R)-6-(2-acetyloxyethoxy)-3,4,5-tribenzoyloxy-2-oxanyl]methoxy]ethoxymethyl]-4,5-dibenzoyloxy-6-[oxo-(trichloromethylamino)methyl]-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-2-[2-[[(2R,3S,4S,5R,6R)-6-(2-acetyloxyethoxy)-3,4,5-tribenzoyloxyoxan-2-yl]methoxy]ethoxymethyl]-4,5-dibenzoyloxy-6-(trichloromethylcarbamoyl)oxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6R)-2-[2-[[(2R,3S,4S,5R,6R)-6-(2-acetoxyethoxy)-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methoxy]ethoxymethyl]-4,5-dibenzoyloxy-6-(trichloromethylcarbamoyl)tetrahydropyran-3-yl] ester Formula: C62H56Cl3NO20 MolecularWeight: 1241.46174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1C(C(C(C(O1)COCCOCC2C(C(C(C(O2)C(=O)NC(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=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

CC(=O)OCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCCOC[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)C(=O)NC(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=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/C62H56Cl3NO20/c1-38(67)77-34-35-78-61-53(86-60(74)44-30-18-7-19-31-44)50(84-58(72)42-26-14-5-15-27-42)48(82-56(70)40-22-10-3-11-23-40)46(80-61)37-76-33-32-75-36-45-47(81-55(69)39-20-8-2-9-21-39)49(83-57(71)41-24-12-4-13-25-41)51(52(79-45)54(68)66-62(63,64)65)85-59(73)43-28-16-6-17-29-43/h2-31,45-53,61H,32-37H2,1H3,(H,66,68)/t45-,46+,47+,48-,49+,50-,51-,52+,53+,61+/m0/s1