copper; 5,7-disulfoquinolin-8-olate; N-ethylethanamine

Systemtic Name: copper; 5,7-disulfoquinolin-8-olate; N-ethylethanamine Openeye Name: copper; 5,7-disulfoquinolin-8-olate; N-ethylethanamine CAS Name: copper; 5,7-disulfo-8-quinolinolate; N-ethylethanamine IUPAC Name: copper; 5,7-disulfoquinolin-8-olate; N-ethylethanamine Traditional Name: cupric; diethylamine; 5,7-disulfoquinolin-8-olate Formula: C34H56CuN6O14S4 MolecularWeight: 964.64624

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCNCC.CCNCC.CCNCC.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)[O-])N=C1.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)[O-])N=C1.[Cu+2]

Isomeric SMILES

CCNCC.CCNCC.CCNCC.CCNCC.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)[O-])N=C1.C1=CC2=C(C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)[O-])N=C1.[Cu+2]

InChI

InChI=1S/2C9H7NO7S2.4C4H11N.Cu/c2*11-9-7(19(15,16)17)4-6(18(12,13)14)5-2-1-3-10-8(5)9;4*1-3-5-4-2;/h2*1-4,11H,(H,12,13,14)(H,15,16,17);4*5H,3-4H2,1-2H3;/q;;;;;;+2/p-2