4-octyl-2-oxidanyl-benzoic acid; zirconium

Systemtic Name: 4-octyl-2-oxidanyl-benzoic acid; zirconium Openeye Name: 2-hydroxy-4-octyl-benzoic acid; zirconium CAS Name: 2-hydroxy-4-octylbenzoic acid; zirconium IUPAC Name: 2-hydroxy-4-octylbenzoic acid; zirconium Traditional Name: 2-hydroxy-4-octyl-benzoic acid; zirconium Formula: C30H44O6Zr MolecularWeight: 591.89076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)O)O.CCCCCCCCC1=CC(=C(C=C1)C(=O)O)O.[Zr]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)O)O.CCCCCCCCC1=CC(=C(C=C1)C(=O)O)O.[Zr]

InChI

InChI=1S/2C15H22O3.Zr/c2*1-2-3-4-5-6-7-8-12-9-10-13(15(17)18)14(16)11-12;/h2*9-11,16H,2-8H2,1H3,(H,17,18);