copper 6-methyl-5,8-bis(oxidanylidene)naphthalen-1-olate dihydrate

Systemtic Name: copper 6-methyl-5,8-bis(oxidanylidene)naphthalen-1-olate dihydrate Openeye Name: copper 6-methyl-5,8-dioxo-naphthalen-1-olate dihydrate CAS Name: copper 6-methyl-5,8-dioxo-1-naphthalenolate dihydrate IUPAC Name: copper 6-methyl-5,8-dioxonaphthalen-1-olate dihydrate Traditional Name: cupric 5,8-diketo-6-methyl-naphthalen-1-olate dihydrate Formula: C22H18CuO8 MolecularWeight: 473.91952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(C1=O)C=CC=C2[O-].CC1=CC(=O)C2=C(C1=O)C=CC=C2[O-].O.O.[Cu+2]

Isomeric SMILES

CC1=CC(=O)C2=C(C1=O)C=CC=C2[O-].CC1=CC(=O)C2=C(C1=O)C=CC=C2[O-].O.O.[Cu+2]

InChI

InChI=1S/2C11H8O3.Cu.2H2O/c2*1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12;;;/h2*2-5,12H,1H3;;2*1H2/q;;+2;;/p-2