aluminum; 4-tert-butylbenzoic acid; hydrate

Systemtic Name: aluminum; 4-tert-butylbenzoic acid; hydrate Openeye Name: aluminum; 4-tert-butylbenzoic acid; hydrate CAS Name: aluminum; 4-tert-butylbenzoic acid; hydrate IUPAC Name: aluminum; 4-tert-butylbenzoic acid; hydrate Traditional Name: aluminum; 4-tert-butylbenzoic acid; hydrate Formula: C22H30AlO5 MolecularWeight: 401.452138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)O.CC(C)(C)C1=CC=C(C=C1)C(=O)O.O.[Al]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O.CC(C)(C)C1=CC=C(C=C1)C(=O)O.O.[Al]

InChI

InChI=1S/2C11H14O2.Al.H2O/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h2*4-7H,1-3H3,(H,12,13);;1H2