zinc; 1-(3,5-dimethylphenyl)-2-phenyl-ethane-1,2-dione; 2-oxidanylbenzoate

Systemtic Name: zinc; 1-(3,5-dimethylphenyl)-2-phenyl-ethane-1,2-dione; 2-oxidanylbenzoate Openeye Name: zinc; 1-(3,5-dimethylphenyl)-2-phenyl-ethane-1,2-dione; 2-hydroxybenzoate CAS Name: zinc; 1-(3,5-dimethylphenyl)-2-phenylethane-1,2-dione; 2-hydroxybenzoate IUPAC Name: zinc; 1-(3,5-dimethylphenyl)-2-phenylethane-1,2-dione; 2-hydroxybenzoate Traditional Name: zinc; 1-(3,5-dimethylphenyl)-2-phenyl-ethane-1,2-dione; salicylate Formula: C46H38O10Zn MolecularWeight: 816.19692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C(=O)C2=CC=CC=C2)C.CC1=CC(=CC(=C1)C(=O)C(=O)C2=CC=CC=C2)C.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Zn+2]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C(=O)C2=CC=CC=C2)C.CC1=CC(=CC(=C1)C(=O)C(=O)C2=CC=CC=C2)C.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Zn+2]

InChI

InChI=1S/2C16H14O2.2C7H6O3.Zn/c2*1-11-8-12(2)10-14(9-11)16(18)15(17)13-6-4-3-5-7-13;2*8-6-4-2-1-3-5(6)7(9)10;/h2*3-10H,1-2H3;2*1-4,8H,(H,9,10);/q;;;;+2/p-2