dicopper; 5-(5-carboxylato-2-oxidanyl-naphthalen-1-yl)-6-oxidanyl-naphthalene-1-carboxylate; methanol; tetrahydrate

Systemtic Name: dicopper; 5-(5-carboxylato-2-oxidanyl-naphthalen-1-yl)-6-oxidanyl-naphthalene-1-carboxylate; methanol; tetrahydrate Openeye Name: dicopper; 5-(5-carboxylato-2-hydroxy-1-naphthyl)-6-hydroxy-naphthalene-1-carboxylate; methanol; tetrahydrate CAS Name: dicopper; 5-(5-carboxylato-2-hydroxy-1-naphthalenyl)-6-hydroxy-1-naphthalenecarboxylate; methanol; tetrahydrate IUPAC Name: dicopper; 5-(5-carboxylato-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-1-carboxylate; methanol; tetrahydrate Traditional Name: dicupric; 5-(5-carboxylato-2-hydroxy-1-naphthyl)-6-hydroxy-1-naphthoate; methanol; tetrahydrate Formula: C45H36Cu2O17 MolecularWeight: 975.84914

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC=C4C(=O)[O-])O)O)C(=C1)C(=O)[O-].C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC=C4C(=O)[O-])O)O)C(=C1)C(=O)[O-].O.O.O.O.[Cu+2].[Cu+2]

Isomeric SMILES

CO.C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC=C4C(=O)[O-])O)O)C(=C1)C(=O)[O-].C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC=C4C(=O)[O-])O)O)C(=C1)C(=O)[O-].O.O.O.O.[Cu+2].[Cu+2]

InChI

InChI=1S/2C22H14O6.CH4O.2Cu.4H2O/c2*23-17-9-7-11-13(3-1-5-15(11)21(25)26)19(17)20-14-4-2-6-16(22(27)28)12(14)8-10-18(20)24;1-2;;;;;;/h2*1-10,23-24H,(H,25,26)(H,27,28);2H,1H3;;;4*1H2/q;;;2*+2;;;;/p-4