aluminum 7-bromanylnaphthalene-1-carboxylate

Systemtic Name: aluminum 7-bromanylnaphthalene-1-carboxylate Openeye Name: aluminum 7-bromonaphthalene-1-carboxylate CAS Name: aluminum 7-bromo-1-naphthalenecarboxylate IUPAC Name: aluminum 7-bromonaphthalene-1-carboxylate Traditional Name: aluminum 7-bromo-1-naphthoate Formula: C33H18AlBr3O6 MolecularWeight: 777.185958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-].C1=CC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-].C1=CC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-].C1=CC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-].C1=CC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C11H7BrO2.Al/c3*12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8;/h3*1-6H,(H,13,14);/q;;;+3/p-3