(5S,7R)-1,2-bis(nitromethyl)adamantane

Systemtic Name: (5S,7R)-1,2-bis(nitromethyl)adamantane Openeye Name: (5S,7R)-1,2-bis(nitromethyl)adamantane CAS Name: (5S,7R)-1,2-bis(nitromethyl)adamantane IUPAC Name: (5S,7R)-1,2-bis(nitromethyl)adamantane Traditional Name: (5S,7R)-1,2-bis(nitromethyl)adamantane Formula: C12H18N2O4 MolecularWeight: 254.28232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3C[C@H]1CC(C2)(C3C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O4/c15-13(16)6-11-10-2-8-1-9(3-10)5-12(11,4-8)7-14(17)18/h8-11H,1-7H2/t8-,9+,10?,11?,12?