dialuminum 4-(3-carboxylato-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: dialuminum 4-(3-carboxylato-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: dialuminum 4-(3-carboxylato-2-hydroxy-1-naphthyl)-3-hydroxy-naphthalene-2-carboxylate CAS Name: dialuminum 4-(3-carboxylato-2-hydroxy-1-naphthalenyl)-3-hydroxy-2-naphthalenecarboxylate IUPAC Name: dialuminum 4-(3-carboxylato-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate Traditional Name: dialuminum 4-(3-carboxylato-2-hydroxy-1-naphthyl)-3-hydroxy-2-naphthoate Formula: C66H36Al2O18 MolecularWeight: 1170.944316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C22H14O6.2Al/c3*23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;;/h3*1-10,23-24H,(H,25,26)(H,27,28);;/q;;;2*+3/p-6