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

Systemtic Name: (3S,5R)-4-(nitromethyl)-1-phenyl-4-phenylsulfanyl-adamantane Openeye Name: (3S,5R)-4-(nitromethyl)-1-phenyl-4-phenylsulfanyl-adamantane CAS Name: (3S,5R)-4-(nitromethyl)-1-phenyl-4-(phenylthio)adamantane IUPAC Name: (3S,5R)-4-(nitromethyl)-1-phenyl-4-phenylsulfanyladamantane Traditional Name: (3S,5R)-4-(nitromethyl)-1-phenyl-4-(phenylthio)adamantane Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(C[N+](=O)[O-])SC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2(C[N+](=O)[O-])SC4=CC=CC=C4)CC1C3)C5=CC=CC=C5

InChI

InChI=1S/C23H25NO2S/c25-24(26)16-23(27-21-9-5-2-6-10-21)19-11-17-12-20(23)15-22(13-17,14-19)18-7-3-1-4-8-18/h1-10,17,19-20H,11-16H2/t17?,19-,20+,22?,23?