3,5-dimethyl-2-oxidanyl-benzoic acid; zirconium

Systemtic Name: 3,5-dimethyl-2-oxidanyl-benzoic acid; zirconium Openeye Name: 2-hydroxy-3,5-dimethyl-benzoic acid; zirconium CAS Name: 2-hydroxy-3,5-dimethylbenzoic acid; zirconium IUPAC Name: 2-hydroxy-3,5-dimethylbenzoic acid; zirconium Traditional Name: 2-hydroxy-3,5-dimethyl-benzoic acid; zirconium Formula: C36H40O12Zr MolecularWeight: 755.9196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)O)C.CC1=CC(=C(C(=C1)C(=O)O)O)C.CC1=CC(=C(C(=C1)C(=O)O)O)C.CC1=CC(=C(C(=C1)C(=O)O)O)C.[Zr]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)O)C.CC1=CC(=C(C(=C1)C(=O)O)O)C.CC1=CC(=C(C(=C1)C(=O)O)O)C.CC1=CC(=C(C(=C1)C(=O)O)O)C.[Zr]

InChI

InChI=1S/4C9H10O3.Zr/c4*1-5-3-6(2)8(10)7(4-5)9(11)12;/h4*3-4,10H,1-2H3,(H,11,12);