4-prop-2-enylphthalic acid; zirconium

Systemtic Name: 4-prop-2-enylphthalic acid; zirconium Openeye Name: 4-allylphthalic acid; zirconium CAS Name: 4-prop-2-enylphthalic acid; zirconium IUPAC Name: 4-prop-2-enylphthalic acid; zirconium Traditional Name: 4-allylphthalic acid; zirconium Formula: C22H20O8Zr MolecularWeight: 503.6134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=C(C=C1)C(=O)O)C(=O)O.C=CCC1=CC(=C(C=C1)C(=O)O)C(=O)O.[Zr]

Isomeric SMILES

C=CCC1=CC(=C(C=C1)C(=O)O)C(=O)O.C=CCC1=CC(=C(C=C1)C(=O)O)C(=O)O.[Zr]

InChI

InChI=1S/2C11H10O4.Zr/c2*1-2-3-7-4-5-8(10(12)13)9(6-7)11(14)15;/h2*2,4-6H,1,3H2,(H,12,13)(H,14,15);