2-[(5S,7R)-3-iodanyl-1-adamantyl]-1-phenyl-ethanone

Systemtic Name: 2-[(5S,7R)-3-iodanyl-1-adamantyl]-1-phenyl-ethanone Openeye Name: 2-[(5S,7R)-3-iodo-1-adamantyl]-1-phenyl-ethanone CAS Name: 2-[(5S,7R)-3-iodo-1-adamantyl]-1-phenylethanone IUPAC Name: 2-[(5S,7R)-3-iodo-1-adamantyl]-1-phenylethanone Traditional Name: 2-[(5S,7R)-3-iodo-1-adamantyl]-1-phenyl-ethanone Formula: C18H21IO MolecularWeight: 380.26321

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)I)CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)I)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H21IO/c19-18-9-13-6-14(10-18)8-17(7-13,12-18)11-16(20)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2/t13-,14+,17?,18?