(3S,5R)-1-iodanyl-4-(nitromethyl)-4-phenylsulfanyl-adamantane

Systemtic Name: (3S,5R)-1-iodanyl-4-(nitromethyl)-4-phenylsulfanyl-adamantane Openeye Name: (3S,5R)-1-iodo-4-(nitromethyl)-4-phenylsulfanyl-adamantane CAS Name: (3S,5R)-1-iodo-4-(nitromethyl)-4-(phenylthio)adamantane IUPAC Name: (3S,5R)-1-iodo-4-(nitromethyl)-4-phenylsulfanyladamantane Traditional Name: (3S,5R)-1-iodo-4-(nitromethyl)-4-(phenylthio)adamantane Formula: C17H20INO2S MolecularWeight: 429.31567

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(C[N+](=O)[O-])SC4=CC=CC=C4)I

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2(C[N+](=O)[O-])SC4=CC=CC=C4)CC1C3)I

InChI

InChI=1S/C17H20INO2S/c18-16-8-12-6-13(9-16)17(11-19(20)21,14(7-12)10-16)22-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2/t12?,13-,14+,16?,17?