dicalcium; 4-methylphenolate; oxidanylidenealuminum; trihydrochloride

Systemtic Name: dicalcium; 4-methylphenolate; oxidanylidenealuminum; trihydrochloride Openeye Name: dicalcium; 4-methylphenolate; oxoaluminum; trihydrochloride CAS Name: dicalcium; 4-methylphenolate; oxoaluminum; trihydrochloride IUPAC Name: dicalcium; 4-methylphenolate; oxoaluminum; trihydrochloride Traditional Name: dicalcium; ketoaluminum; 4-methylphenolate; trihydrochloride Formula: C14H17AlCa2Cl3O3+2 MolecularWeight: 446.779518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].O=[Al].Cl.Cl.Cl.[Ca+2].[Ca+2]

Isomeric SMILES

CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].O=[Al].Cl.Cl.Cl.[Ca+2].[Ca+2]

InChI

InChI=1S/2C7H8O.Al.2Ca.3ClH.O/c2*1-6-2-4-7(8)5-3-6;;;;;;;/h2*2-5,8H,1H3;;;;3*1H;/q;;;2*+2;;;;/p-2