aluminum 2,4-bis(oxidanylidene)-4-phenyl-butanoate

Systemtic Name: aluminum 2,4-bis(oxidanylidene)-4-phenyl-butanoate Openeye Name: aluminum 2,4-dioxo-4-phenyl-butanoate CAS Name: aluminum 2,4-dioxo-4-phenylbutanoate IUPAC Name: aluminum 2,4-dioxo-4-phenylbutanoate Traditional Name: aluminum 2,4-diketo-4-phenyl-butyrate Formula: C30H21AlO12 MolecularWeight: 600.462078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H8O4.Al/c3*11-8(6-9(12)10(13)14)7-4-2-1-3-5-7;/h3*1-5H,6H2,(H,13,14);/q;;;+3/p-3