2-chloranyl-1-[3-(trinitromethyl)-1-adamantyl]ethanone

Systemtic Name: 2-chloranyl-1-[3-(trinitromethyl)-1-adamantyl]ethanone Openeye Name: 2-chloro-1-[3-(trinitromethyl)-1-adamantyl]ethanone CAS Name: 2-chloro-1-[3-(trinitromethyl)-1-adamantyl]ethanone IUPAC Name: 2-chloro-1-[3-(trinitromethyl)-1-adamantyl]ethanone Traditional Name: 2-chloro-1-[3-(trinitromethyl)-1-adamantyl]ethanone Formula: C13H16ClN3O7 MolecularWeight: 361.73504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)CCl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)CCl

InChI

InChI=1S/C13H16ClN3O7/c14-6-10(18)11-2-8-1-9(3-11)5-12(4-8,7-11)13(15(19)20,16(21)22)17(23)24/h8-9H,1-7H2