4-(1-phenylethyl)phthalic acid; zirconium

Systemtic Name: 4-(1-phenylethyl)phthalic acid; zirconium Openeye Name: 4-(1-phenylethyl)phthalic acid; zirconium CAS Name: 4-(1-phenylethyl)phthalic acid; zirconium IUPAC Name: 4-(1-phenylethyl)phthalic acid; zirconium Traditional Name: 4-(1-phenylethyl)phthalic acid; zirconium Formula: C32H28O8Zr MolecularWeight: 631.78392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O.CC(C1=CC=CC=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O.[Zr]

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O.CC(C1=CC=CC=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O.[Zr]

InChI

InChI=1S/2C16H14O4.Zr/c2*1-10(11-5-3-2-4-6-11)12-7-8-13(15(17)18)14(9-12)16(19)20;/h2*2-10H,1H3,(H,17,18)(H,19,20);