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(2S,4aR,6S,7S,8S,8aS)-6-[[(2S,4aR,6S,7S,8S,8aR)-6-[[(2S,4aR,6R,7S,8S,8aR)-2-cyano-6-cyclohexyloxy-2-[(2-iodanylphenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-cyano-2-[(2-iodanylphenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-[(2-iodanylphenyl)methyl]-8-oxidanyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile

Systemtic Name:	(2S,4aR,6S,7S,8S,8aS)-6-[[(2S,4aR,6S,7S,8S,8aR)-6-[[(2S,4aR,6R,7S,8S,8aR)-2-cyano-6-cyclohexyloxy-2-[(2-iodanylphenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-cyano-2-[(2-iodanylphenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-[(2-iodanylphenyl)methyl]-8-oxidanyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile
Openeye Name:	(2S,4aR,6S,7S,8S,8aS)-6-[[(2S,4aR,6S,7S,8S,8aR)-6-[[(2S,4aR,6R,7S,8S,8aR)-7-benzyloxy-2-cyano-6-(cyclohexoxy)-2-[(2-iodophenyl)methyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-benzyloxy-2-cyano-2-[(2-iodophenyl)methyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-benzyloxy-8-hydroxy-2-[(2-iodophenyl)methyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile
CAS Name:	(2S,4aR,6S,7S,8S,8aS)-6-[[(2S,4aR,6S,7S,8S,8aR)-6-[[(2S,4aR,6R,7S,8S,8aR)-2-cyano-6-cyclohexyloxy-2-[(2-iodophenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-cyano-2-[(2-iodophenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-hydroxy-2-[(2-iodophenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbonitrile
IUPAC Name:	(2S,4aR,6S,7S,8S,8aS)-6-[[(2S,4aR,6S,7S,8S,8aR)-6-[[(2S,4aR,6R,7S,8S,8aR)-2-cyano-6-cyclohexyloxy-2-[(2-iodophenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-2-cyano-2-[(2-iodophenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-8-hydroxy-2-[(2-iodophenyl)methyl]-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbonitrile
Traditional Name:	(2S,4aR,6S,7S,8S,8aS)-6-[[(2S,4aR,6S,7S,8S,8aR)-6-[[(2S,4aR,6R,7S,8S,8aR)-7-benzoxy-2-cyano-6-(cyclohexoxy)-2-(2-iodobenzyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-benzoxy-2-cyano-2-(2-iodobenzyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7-benzoxy-8-hydroxy-2-(2-iodobenzyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbonitrile
Formula:	C₇₂H₇₂I₃N₃O₁₆
MolecularWeight:	1616.06599

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2C(C(C3C(O2)COC(O3)(CC4=CC=CC=C4I)C#N)OC5C(C(C6C(O5)COC(O6)(CC7=CC=CC=C7I)C#N)OC8C(C(C9C(O8)COC(O9)(CC1=CC=CC=C1I)C#N)O)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C1CCC(CC1)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(CC4=CC=CC=C4I)C#N)O[C@H]5[C@H]([C@H]([C@H]6[C@H](O5)CO[C@](O6)(CC7=CC=CC=C7I)C#N)O[C@H]8[C@H]([C@H]([C@H]9[C@H](O8)CO[C@](O9)(CC1=CC=CC=C1I)C#N)O)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C72H72I3N3O16/c73-52-30-16-13-25-48(52)33-70(42-76)83-39-55-59(92-70)58(79)62(80-36-45-19-5-1-6-20-45)67(87-55)90-64-61-57(41-85-72(44-78,94-61)35-50-27-15-18-32-54(50)75)89-69(66(64)82-38-47-23-9-3-10-24-47)91-63-60-56(40-84-71(43-77,93-60)34-49-26-14-17-31-53(49)74)88-68(86-51-28-11-4-12-29-51)65(63)81-37-46-21-7-2-8-22-46/h1-3,5-10,13-27,30-32,51,55-69,79H,4,11-12,28-29,33-41H2/t55-,56-,57-,58+,59-,60-,61-,62+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+/m1/s1

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