aluminum 3-(2,4-dichlorophenyl)prop-2-ynoate

Systemtic Name: aluminum 3-(2,4-dichlorophenyl)prop-2-ynoate Openeye Name: aluminum 3-(2,4-dichlorophenyl)prop-2-ynoate CAS Name: aluminum 3-(2,4-dichlorophenyl)-2-propynoate IUPAC Name: aluminum 3-(2,4-dichlorophenyl)prop-2-ynoate Traditional Name: aluminum 3-(2,4-dichlorophenyl)propiolate Formula: C27H9AlCl6O6 MolecularWeight: 669.056298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C#CC(=O)[O-].C1=CC(=C(C=C1Cl)Cl)C#CC(=O)[O-].C1=CC(=C(C=C1Cl)Cl)C#CC(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C#CC(=O)[O-].C1=CC(=C(C=C1Cl)Cl)C#CC(=O)[O-].C1=CC(=C(C=C1Cl)Cl)C#CC(=O)[O-].[Al+3]

InChI

InChI=1S/3C9H4Cl2O2.Al/c3*10-7-3-1-6(8(11)5-7)2-4-9(12)13;/h3*1,3,5H,(H,12,13);/q;;;+3/p-3