disodium; 3-azanyl-4-methoxy-benzenesulfonate; copper; 4-nitrobenzene-1,3-diamine; 3-oxidanylphenolate

Systemtic Name: disodium; 3-azanyl-4-methoxy-benzenesulfonate; copper; 4-nitrobenzene-1,3-diamine; 3-oxidanylphenolate Openeye Name: disodium; 3-amino-4-methoxy-benzenesulfonate; copper; 3-hydroxyphenolate; 4-nitrobenzene-1,3-diamine CAS Name: disodium; 3-amino-4-methoxybenzenesulfonate; copper; 3-hydroxyphenolate; 4-nitrobenzene-1,3-diamine IUPAC Name: disodium; 3-amino-4-methoxybenzenesulfonate; copper; 3-hydroxyphenolate; 4-nitrobenzene-1,3-diamine Traditional Name: disodium; 3-amino-4-methoxy-besylate; (3-amino-4-nitro-phenyl)amine; copper; 3-hydroxyphenolate Formula: C19H20CuN4Na2O8S MolecularWeight: 573.97464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N.C1=CC(=CC(=C1)O)[O-].C1=CC(=C(C=C1N)N)[N+](=O)[O-].[Na+].[Na+].[Cu]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N.C1=CC(=CC(=C1)O)[O-].C1=CC(=C(C=C1N)N)[N+](=O)[O-].[Na+].[Na+].[Cu]

InChI

InChI=1S/C7H9NO4S.C6H7N3O2.C6H6O2.Cu.2Na/c1-12-7-3-2-5(4-6(7)8)13(9,10)11;7-4-1-2-6(9(10)11)5(8)3-4;7-5-2-1-3-6(8)4-5;;;/h2-4H,8H2,1H3,(H,9,10,11);1-3H,7-8H2;1-4,7-8H;;;/q;;;;2*+1/p-2