4-(1-adamantyl)-2,6-dinitro-phenolate

Systemtic Name: 4-(1-adamantyl)-2,6-dinitro-phenolate Openeye Name: 4-(1-adamantyl)-2,6-dinitro-phenolate CAS Name: 4-(1-adamantyl)-2,6-dinitrophenolate IUPAC Name: 4-(1-adamantyl)-2,6-dinitrophenolate Traditional Name: 4-(1-adamantyl)-2,6-dinitro-phenolate Formula: C16H17N2O5- MolecularWeight: 317.31658

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c19-15-13(17(20)21)4-12(5-14(15)18(22)23)16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11,19H,1-3,6-8H2/p-1