copper 9-oxidanylidene-6-(2-piperidin-1-ylethoxy)xanthen-1-olate dihydrate

Systemtic Name: copper 9-oxidanylidene-6-(2-piperidin-1-ylethoxy)xanthen-1-olate dihydrate Openeye Name: copper 9-oxo-6-[2-(1-piperidyl)ethoxy]xanthen-1-olate dihydrate CAS Name: copper 9-oxo-6-[2-(1-piperidinyl)ethoxy]-1-xanthenolate dihydrate IUPAC Name: copper 9-oxo-6-(2-piperidin-1-ylethoxy)xanthen-1-olate dihydrate Traditional Name: cupric 9-keto-6-(2-piperidinoethoxy)xanthen-1-olate dihydrate Formula: C40H44CuN2O10 MolecularWeight: 776.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4O3)[O-].C1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4O3)[O-].O.O.[Cu+2]

Isomeric SMILES

C1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4O3)[O-].C1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4O3)[O-].O.O.[Cu+2]

InChI

InChI=1S/2C20H21NO4.Cu.2H2O/c2*22-16-5-4-6-17-19(16)20(23)15-8-7-14(13-18(15)25-17)24-12-11-21-9-2-1-3-10-21;;;/h2*4-8,13,22H,1-3,9-12H2;;2*1H2/q;;+2;;/p-2