copper 2-[(4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]phenolate chloride hexahydrate

Systemtic Name: copper 2-[(4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]phenolate chloride hexahydrate Openeye Name: copper 2-[(4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]phenolate chloride hexahydrate CAS Name: copper 2-[(4-amino-1,5-dimethyl-2-phenyl-3-pyrazolylidene)amino]phenolate chloride hexahydrate IUPAC Name: copper 2-[(4-amino-1,5-dimethyl-2-phenylpyrazol-3-ylidene)amino]phenolate chloride hexahydrate Traditional Name: cupric 2-[(4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-ylidene)amino]phenolate chloride hexahydrate Formula: C17H29ClCuN4O7 MolecularWeight: 500.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2[O-])N(N1C)C3=CC=CC=C3)N.O.O.O.O.O.O.[Cl-].[Cu+2]

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2[O-])N(N1C)C3=CC=CC=C3)N.O.O.O.O.O.O.[Cl-].[Cu+2]

InChI

InChI=1S/C17H18N4O.ClH.Cu.6H2O/c1-12-16(18)17(19-14-10-6-7-11-15(14)22)21(20(12)2)13-8-4-3-5-9-13;;;;;;;;/h3-11,22H,18H2,1-2H3;1H;;6*1H2/q;;+2;;;;;;/p-2