aluminum 2,4-dimethylbenzoate

Systemtic Name: aluminum 2,4-dimethylbenzoate Openeye Name: aluminum 2,4-dimethylbenzoate CAS Name: aluminum 2,4-dimethylbenzoate IUPAC Name: aluminum 2,4-dimethylbenzoate Traditional Name: aluminum 2,4-dimethylbenzoate Formula: C27H27AlO6 MolecularWeight: 474.481218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H10O2.Al/c3*1-6-3-4-8(9(10)11)7(2)5-6;/h3*3-5H,1-2H3,(H,10,11);/q;;;+3/p-3