aluminum; 2-[4-(2-methylpropyl)phenyl]propanoic acid; hydrate

Systemtic Name: aluminum; 2-[4-(2-methylpropyl)phenyl]propanoic acid; hydrate Openeye Name: aluminum; 2-(4-isobutylphenyl)propanoic acid; hydrate CAS Name: aluminum; 2-[4-(2-methylpropyl)phenyl]propanoic acid; hydrate IUPAC Name: aluminum; 2-[4-(2-methylpropyl)phenyl]propanoic acid; hydrate Traditional Name: aluminum; 2-(4-isobutylphenyl)propionic acid; hydrate Formula: C26H38AlO5 MolecularWeight: 457.558458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H18O2.Al.H2O/c2*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h2*4-7,9-10H,8H2,1-3H3,(H,14,15);;1H2