chromen-2-one; dicarboxylatoaluminum; hydrate

Systemtic Name: chromen-2-one; dicarboxylatoaluminum; hydrate Openeye Name: chromen-2-one; dicarboxylatoaluminum; hydrate CAS Name: 1-benzopyran-2-one; dicarboxylatoaluminum; hydrate IUPAC Name: chromen-2-one; dicarboxylatoaluminum; hydrate Traditional Name: coumarin; dicarboxylatoaluminum; hydrate Formula: C11H8AlO7-2 MolecularWeight: 279.158558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)O2.C(=O)([O-])[Al]C(=O)[O-].O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=O)O2.C(=O)([O-])[Al]C(=O)[O-].O

InChI

InChI=1S/C9H6O2.2CO2.Al.H2O/c10-9-6-5-7-3-1-2-4-8(7)11-9;2*2-1-3;;/h1-6H;;;;1H2/q;2*-1;;