copper; 6-methyl-5,8-bis(oxidanylidene)naphthalen-1-olate; pyridine; nitrate; trihydrate

Systemtic Name: copper; 6-methyl-5,8-bis(oxidanylidene)naphthalen-1-olate; pyridine; nitrate; trihydrate Openeye Name: copper; 6-methyl-5,8-dioxo-naphthalen-1-olate; pyridine; nitrate; trihydrate CAS Name: copper; 6-methyl-5,8-dioxo-1-naphthalenolate; pyridine; nitrate; trihydrate IUPAC Name: copper; 6-methyl-5,8-dioxonaphthalen-1-olate; pyridine; nitrate; trihydrate Traditional Name: cupric; 5,8-diketo-6-methyl-naphthalen-1-olate; pyridine; nitrate; trihydrate Formula: C21H23CuN3O9 MolecularWeight: 524.96802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8O3.2C5H5N.Cu.NO3.3H2O/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12;2*1-2-4-6-5-3-1;;2-1(3)4;;;/h2-5,12H,1H3;2*1-5H;;;3*1H2/q;;;+2;-1;;;/p-1