aluminum 2,3,6-tris(chloranyl)-5-oxidanyl-phenolate

Systemtic Name: aluminum 2,3,6-tris(chloranyl)-5-oxidanyl-phenolate Openeye Name: aluminum 2,3,6-trichloro-5-hydroxy-phenolate CAS Name: aluminum 2,3,6-trichloro-5-hydroxyphenolate IUPAC Name: aluminum 2,3,6-trichloro-5-hydroxyphenolate Traditional Name: aluminum 2,3,6-trichloro-5-hydroxy-phenolate Formula: C18H6AlCl9O6 MolecularWeight: 664.295178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H3Cl3O2.Al/c3*7-2-1-3(10)5(9)6(11)4(2)8;/h3*1,10-11H;/q;;;+3/p-3