copper; 2-[(Z)-oxidanidyl(thiophen-2-ylmethylidene)azaniumyl]phenolate; quinolin-8-olate; dihydrate

Systemtic Name: copper; 2-[(Z)-oxidanidyl(thiophen-2-ylmethylidene)azaniumyl]phenolate; quinolin-8-olate; dihydrate Openeye Name: copper; 2-[(Z)-oxido(2-thienylmethylene)ammonio]phenolate; quinolin-8-olate; dihydrate CAS Name: copper; 2-[(Z)-oxido(thiophen-2-ylmethylidene)ammonio]phenolate; 8-quinolinolate; dihydrate IUPAC Name: copper; 2-[(Z)-oxido(thiophen-2-ylmethylidene)azaniumyl]phenolate; quinolin-8-olate; dihydrate Traditional Name: cupric; 2-[(Z)-oxido(2-thenylidene)ammonio]phenolate; quinolin-8-olate; dihydrate Formula: C20H18CuN2O5S MolecularWeight: 461.97832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=CC2=CC=CS2)[O-])[O-].C1=CC2=C(C(=C1)[O-])N=CC=C2.O.O.[Cu+2]

Isomeric SMILES

C1=CC=C(C(=C1)/[N+](=C/C2=CC=CS2)/[O-])[O-].C1=CC2=C(C(=C1)[O-])N=CC=C2.O.O.[Cu+2]

InChI

InChI=1S/C11H9NO2S.C9H7NO.Cu.2H2O/c13-11-6-2-1-5-10(11)12(14)8-9-4-3-7-15-9;11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-8,13H;1-6,11H;;2*1H2/q;;+2;;/p-2/b12-8-;;;;