aluminum; methylbenzene; propan-2-olate

Systemtic Name: aluminum; methylbenzene; propan-2-olate Openeye Name: aluminum; propan-2-olate; toluene CAS Name: aluminum; 2-propanolate; toluene IUPAC Name: aluminum; propan-2-olate; toluene Traditional Name: aluminum; propan-2-olate; toluene Formula: C16H29AlO3 MolecularWeight: 296.381198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.3C3H7O.Al/c1-7-5-3-2-4-6-7;3*1-3(2)4;/h2-6H,1H3;3*3H,1-2H3;/q;3*-1;+3