2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-[2,2-bis(bromanyl)ethenyl]-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-[2,2-bis(bromanyl)ethenyl]-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-(2,2-dibromovinyl)-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-(2,2-dibromoethenyl)-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-(2,2-dibromoethenyl)-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-(2,2-dibromovinyl)-2-methyl-1-p-anisyloxy-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl ester Formula: C39H50Br2O7 MolecularWeight: 790.6181

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(C1OCC3=CC=C(C=C3)OC)C=CC(C2C=C(Br)Br)CC4CC(OC(O4)C5=CC=C(C=C5)OC)CCOC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]2[C@H]([C@@H]1OCC3=CC=C(C=C3)OC)C=C[C@H]([C@H]2C=C(Br)Br)C[C@H]4C[C@H](O[C@H](O4)C5=CC=C(C=C5)OC)CCOC(=O)C(C)(C)C

InChI

InChI=1S/C39H50Br2O7/c1-24-19-34-32(36(24)46-23-25-7-12-28(43-5)13-8-25)16-11-27(33(34)22-35(40)41)20-31-21-30(17-18-45-38(42)39(2,3)4)47-37(48-31)26-9-14-29(44-6)15-10-26/h7-16,22,24,27,30-34,36-37H,17-21,23H2,1-6H3/t24-,27+,30-,31+,32-,33-,34-,36-,37-/m1/s1