[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3S,4S,5R,6S)-6-(3-bromanyl-4-methoxy-phenoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3S,4S,5R,6S)-6-(3-bromanyl-4-methoxy-phenoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-3,4-diacetoxy-5-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-tribenzyloxy-6-(3-bromo-4-methoxy-phenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3S,4S,5R,6S)-6-(3-bromo-4-methoxyphenoxy)-3,4,5-tris(phenylmethoxy)-2-oxanyl]methoxy]-5-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3S,4S,5R,6S)-6-(3-bromo-4-methoxyphenoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-3,4-diacetoxy-5-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-tribenzoxy-6-(3-bromo-4-methoxy-phenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl ester Formula: C54H50BrCl4NO16 MolecularWeight: 1190.6879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C(C=C3)OC)Br)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=C(C7=O)C(=C(C(=C8Cl)Cl)Cl)Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C=C3)OC)Br)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=C(C7=O)C(=C(C(=C8Cl)Cl)Cl)Cl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C54H50BrCl4NO16/c1-28(61)67-26-38-47(72-29(2)62)48(73-30(3)63)45(60-51(64)39-40(52(60)65)42(57)44(59)43(58)41(39)56)53(75-38)71-27-37-46(68-23-31-14-8-5-9-15-31)49(69-24-32-16-10-6-11-17-32)50(70-25-33-18-12-7-13-19-33)54(76-37)74-34-20-21-36(66-4)35(55)22-34/h5-22,37-38,45-50,53-54H,23-27H2,1-4H3/t37-,38-,45-,46+,47-,48-,49+,50-,53-,54-/m1/s1