(2S,4aR,6R,7S,8S,8aS)-6-cyclohexyloxy-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,6R,7S,8S,8aS)-6-cyclohexyloxy-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,6R,7S,8S,8aS)-7-benzyloxy-6-(cyclohexoxy)-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,6R,7S,8S,8aS)-6-cyclohexyloxy-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,6R,7S,8S,8aS)-6-cyclohexyloxy-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,6R,7S,8S,8aS)-7-benzoxy-6-(cyclohexoxy)-8-hydroxy-2-(2-iodobenzyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbonitrile Formula: C28H32INO6 MolecularWeight: 605.46125

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2C(C(C3C(O2)COC(O3)(CC4=CC=CC=C4I)C#N)O)OCC5=CC=CC=C5

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)OCC5=CC=CC=C5

InChI

InChI=1S/C28H32INO6/c29-22-14-8-7-11-20(22)15-28(18-30)33-17-23-25(36-28)24(31)26(32-16-19-9-3-1-4-10-19)27(35-23)34-21-12-5-2-6-13-21/h1,3-4,7-11,14,21,23-27,31H,2,5-6,12-13,15-17H2/t23-,24+,25-,26+,27-,28+/m1/s1