(1S,3S,5R,7S)-1-bromanyl-3-[(5S,7R)-3-bromanyl-1-adamantyl]-5-[(1S,3R,5R,7R)-3-bromanyl-5-[(5S,7R)-3-bromanyl-1-adamantyl]-1-adamantyl]adamantane

Systemtic Name: (1S,3S,5R,7S)-1-bromanyl-3-[(5S,7R)-3-bromanyl-1-adamantyl]-5-[(1S,3R,5R,7R)-3-bromanyl-5-[(5S,7R)-3-bromanyl-1-adamantyl]-1-adamantyl]adamantane Openeye Name: (1S,3S,5R,7S)-1-bromo-3-[(5S,7R)-3-bromo-1-adamantyl]-5-[(1S,3R,5R,7R)-3-bromo-5-[(5S,7R)-3-bromo-1-adamantyl]-1-adamantyl]adamantane CAS Name: (1S,3S,5R,7S)-1-bromo-3-[(5S,7R)-3-bromo-1-adamantyl]-5-[(1S,3R,5R,7R)-3-bromo-5-[(5S,7R)-3-bromo-1-adamantyl]-1-adamantyl]adamantane IUPAC Name: (1S,3S,5R,7S)-1-bromo-3-[(5S,7R)-3-bromo-1-adamantyl]-5-[(1S,3R,5R,7R)-3-bromo-5-[(5S,7R)-3-bromo-1-adamantyl]-1-adamantyl]adamantane Traditional Name: (1S,3S,5R,7S)-1-bromo-3-[(5S,7R)-3-bromo-1-adamantyl]-5-[(1S,3R,5R,7R)-3-bromo-5-[(5S,7R)-3-bromo-1-adamantyl]-1-adamantyl]adamantane Formula: C40H54Br4 MolecularWeight: 854.47276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C45CC6CC(C4)(CC(C6)(C5)Br)C78CC9CC(C7)(CC(C9)(C8)Br)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)[C@]45C[C@@H]6C[C@](C4)(C[C@@](C6)(C5)Br)[C@]78C[C@@H]9C[C@](C7)(C[C@@](C9)(C8)Br)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C40H54Br4/c41-37-11-25-1-26(12-37)4-31(3-25,19-37)33-7-29-9-35(17-33,23-39(43,15-29)21-33)36-10-30-8-34(18-36,22-40(44,16-30)24-36)32-5-27-2-28(6-32)14-38(42,13-27)20-32/h25-30H,1-24H2/t25-,26+,27-,28+,29-,30+,31?,32?,33-,34+,35+,36-,37?,38?,39-,40+