4-cyanophthalic acid; 4-isocyanophthalic acid; zirconium

Systemtic Name: 4-cyanophthalic acid; 4-isocyanophthalic acid; zirconium Openeye Name: 4-cyanophthalic acid; 4-isocyanophthalic acid; zirconium CAS Name: 4-cyanophthalic acid; 4-isocyanophthalic acid; zirconium IUPAC Name: 4-cyanophthalic acid; 4-isocyanophthalic acid; zirconium Traditional Name: 4-cyanophthalic acid; 4-isocyanophthalic acid; zirconium Formula: C18H10N2O8Zr MolecularWeight: 473.5046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H5NO4.Zr/c1-10-5-2-3-6(8(11)12)7(4-5)9(13)14;10-4-5-1-2-6(8(11)12)7(3-5)9(13)14;/h2-4H,(H,11,12)(H,13,14);1-3H,(H,11,12)(H,13,14);