aluminum 2-methylquinoline-8-carboxylate phenoxide

Systemtic Name: aluminum 2-methylquinoline-8-carboxylate phenoxide Openeye Name: aluminum 2-methylquinoline-8-carboxylate phenoxide CAS Name: aluminum 2-methyl-8-quinolinecarboxylate phenoxide IUPAC Name: aluminum 2-methylquinoline-8-carboxylate phenoxide Traditional Name: aluminum 2-methylquinoline-8-carboxylate phenoxide Formula: C28H21AlN2O5 MolecularWeight: 492.458278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C(=O)[O-])C=C1.CC1=NC2=C(C=CC=C2C(=O)[O-])C=C1.C1=CC=C(C=C1)[O-].[Al+3]

Isomeric SMILES

CC1=NC2=C(C=CC=C2C(=O)[O-])C=C1.CC1=NC2=C(C=CC=C2C(=O)[O-])C=C1.C1=CC=C(C=C1)[O-].[Al+3]

InChI

InChI=1S/2C11H9NO2.C6H6O.Al/c2*1-7-5-6-8-3-2-4-9(11(13)14)10(8)12-7;7-6-4-2-1-3-5-6;/h2*2-6H,1H3,(H,13,14);1-5,7H;/q;;;+3/p-3