aluminum 5-chloranylnaphthalene-2-carboxylate

Systemtic Name: aluminum 5-chloranylnaphthalene-2-carboxylate Openeye Name: aluminum 5-chloronaphthalene-2-carboxylate CAS Name: aluminum 5-chloro-2-naphthalenecarboxylate IUPAC Name: aluminum 5-chloronaphthalene-2-carboxylate Traditional Name: aluminum 5-chloro-2-naphthoate Formula: C33H18AlCl3O6 MolecularWeight: 643.832958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H7ClO2.Al/c3*12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10;/h3*1-6H,(H,13,14);/q;;;+3/p-3