aluminum; ethanolate; 3-methylbenzoate

Systemtic Name: aluminum; ethanolate; 3-methylbenzoate Openeye Name: aluminum; ethanolate; 3-methylbenzoate CAS Name: aluminum; ethanolate; 3-methylbenzoate IUPAC Name: aluminum; ethanolate; 3-methylbenzoate Traditional Name: aluminum; ethanolate; 3-methylbenzoate Formula: C12H17AlO4 MolecularWeight: 252.242518

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].CC1=CC=CC(=C1)C(=O)[O-].[Al+3]

Isomeric SMILES

CC[O-].CC[O-].CC1=CC=CC(=C1)C(=O)[O-].[Al+3]

InChI

InChI=1S/C8H8O2.2C2H5O.Al/c1-6-3-2-4-7(5-6)8(9)10;2*1-2-3;/h2-5H,1H3,(H,9,10);2*2H2,1H3;/q;2*-1;+3/p-1