bis(phenylcarbonyloxy)alumanylium phosphate

Systemtic Name: bis(phenylcarbonyloxy)alumanylium phosphate Openeye Name: dibenzoyloxyalumanylium phosphate CAS Name: dibenzoyloxyalumanylium phosphate IUPAC Name: dibenzoyloxyalumanylium phosphate Traditional Name: dibenzoyloxyalumanylium phosphate Formula: C42H30Al3O16P MolecularWeight: 902.596375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O[Al+]OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O[Al+]OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O[Al+]OC(=O)C2=CC=CC=C2.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[Al+]OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O[Al+]OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O[Al+]OC(=O)C2=CC=CC=C2.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/6C7H6O2.3Al.H3O4P/c6*8-7(9)6-4-2-1-3-5-6;;;;1-5(2,3)4/h6*1-5H,(H,8,9);;;;(H3,1,2,3,4)/q;;;;;;3*+3;/p-9