3,5-dimethoxy-2-[2-(4-methoxyphenyl)-1-oxidanidyl-2-oxidanylidene-ethyl]phenolate; nickel

Systemtic Name: 3,5-dimethoxy-2-[2-(4-methoxyphenyl)-1-oxidanidyl-2-oxidanylidene-ethyl]phenolate; nickel Openeye Name: 3,5-dimethoxy-2-[2-(4-methoxyphenyl)-1-oxido-2-oxo-ethyl]phenolate; nickel CAS Name: 3,5-dimethoxy-2-[2-(4-methoxyphenyl)-1-oxido-2-oxoethyl]phenolate; nickel IUPAC Name: 3,5-dimethoxy-2-[2-(4-methoxyphenyl)-1-oxido-2-oxoethyl]phenolate; nickel Traditional Name: 2-[2-keto-2-(4-methoxyphenyl)-1-oxido-ethyl]-3,5-dimethoxy-phenolate; nickel Formula: C34H32NiO12-4 MolecularWeight: 691.30408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C2=C(C=C(C=C2[O-])OC)OC)[O-].COC1=CC=C(C=C1)C(=O)C(C2=C(C=C(C=C2[O-])OC)OC)[O-].[Ni]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C2=C(C=C(C=C2[O-])OC)OC)[O-].COC1=CC=C(C=C1)C(=O)C(C2=C(C=C(C=C2[O-])OC)OC)[O-].[Ni]

InChI

InChI=1S/2C17H17O6.Ni/c2*1-21-11-6-4-10(5-7-11)16(19)17(20)15-13(18)8-12(22-2)9-14(15)23-3;/h2*4-9,17-18H,1-3H3;/q2*-1;/p-2