(2S,4aR,6S,7S,8S,8aS)-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-[(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,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-[(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,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-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,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]-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,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]-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,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-8-hydroxy-2-(2-iodobenzyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbonitrile Formula: C50H52I2N2O11 MolecularWeight: 1110.76362

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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)O)OCC8=CC=CC=C8)OCC9=CC=CC=C9

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)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C50H52I2N2O11/c51-37-22-12-10-18-34(37)24-49(30-53)58-28-39-42(64-49)41(55)44(56-26-32-14-4-1-5-15-32)47(61-39)63-45-43-40(29-59-50(31-54,65-43)25-35-19-11-13-23-38(35)52)62-48(60-36-20-8-3-9-21-36)46(45)57-27-33-16-6-2-7-17-33/h1-2,4-7,10-19,22-23,36,39-48,55H,3,8-9,20-21,24-29H2/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48-,49+,50+/m1/s1