aluminum (3-bromanyl-2,6-dimethyl-phenyl)-(3,4-dimethoxy-6-methyl-2-oxidanyl-phenyl)methanone chloride

Systemtic Name: aluminum (3-bromanyl-2,6-dimethyl-phenyl)-(3,4-dimethoxy-6-methyl-2-oxidanyl-phenyl)methanone chloride Openeye Name: aluminum (3-bromo-2,6-dimethyl-phenyl)-(2-hydroxy-3,4-dimethoxy-6-methyl-phenyl)methanone chloride CAS Name: aluminum (3-bromo-2,6-dimethylphenyl)-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)methanone chloride IUPAC Name: aluminum (3-bromo-2,6-dimethylphenyl)-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)methanone chloride Traditional Name: aluminum (3-bromo-2,6-dimethyl-phenyl)-(2-hydroxy-3,4-dimethoxy-6-methyl-phenyl)methanone chloride Formula: C18H19AlBrClO4+2 MolecularWeight: 441.679598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Br)C)C(=O)C2=C(C(=C(C=C2C)OC)OC)O.[Al+3].[Cl-]

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)C(=O)C2=C(C(=C(C=C2C)OC)OC)O.[Al+3].[Cl-]

InChI

InChI=1S/C18H19BrO4.Al.ClH/c1-9-6-7-12(19)11(3)14(9)16(20)15-10(2)8-13(22-4)18(23-5)17(15)21;;/h6-8,21H,1-5H3;;1H/q;+3;/p-1