benzoic acid; triethylalumane

Systemtic Name: benzoic acid; triethylalumane Openeye Name: benzoic acid; triethylalumane CAS Name: benzoic acid; triethylalumane IUPAC Name: benzoic acid; triethylalumane Traditional Name: benzoic acid; triethylalumane Formula: C13H21AlO2 MolecularWeight: 236.286178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.3C2H5.Al/c8-7(9)6-4-2-1-3-5-6;3*1-2;/h1-5H,(H,8,9);3*1H2,2H3;