3-azoniabicyclo[2.1.1]hexane-1,4-dicarboxylate

Systemtic Name: 3-azoniabicyclo[2.1.1]hexane-1,4-dicarboxylate Openeye Name: 3-azoniabicyclo[2.1.1]hexane-1,4-dicarboxylate CAS Name: 3-azoniabicyclo[2.1.1]hexane-1,4-dicarboxylate IUPAC Name: 3-azoniabicyclo[2.1.1]hexane-1,4-dicarboxylate Traditional Name: 3-azoniabicyclo[2.1.1]hexane-1,4-dicarboxylate Formula: C7H8NO4- MolecularWeight: 170.14272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC1([NH2+]C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C2(CC1([NH2+]C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C7H9NO4/c9-4(10)6-1-7(2-6,5(11)12)8-3-6/h8H,1-3H2,(H,9,10)(H,11,12)/p-1