benzene; copper; 4-nitrobenzoic acid; hydrate

Systemtic Name: benzene; copper; 4-nitrobenzoic acid; hydrate Openeye Name: benzene; copper; 4-nitrobenzoic acid; hydrate CAS Name: benzene; copper; 4-nitrobenzoic acid; hydrate IUPAC Name: benzene; copper; 4-nitrobenzoic acid; hydrate Traditional Name: benzene; copper; 4-nitrobenzoic acid; hydrate Formula: C13H12CuNO5- MolecularWeight: 325.78408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].O.[Cu]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].O.[Cu]

InChI

InChI=1S/C7H5NO4.C6H5.Cu.H2O/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-2-4-6-5-3-1;;/h1-4H,(H,9,10);1-5H;;1H2/q;-1;;