copper(1+); (3,5-dimethyl-4-methylsulfanyl-phenyl) N-methylcarbamate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: copper(1+); (3,5-dimethyl-4-methylsulfanyl-phenyl) N-methylcarbamate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: cuprous; (3,5-dimethyl-4-methylsulfanyl-phenyl) N-methylcarbamate; 2-hydroxy-2-oxo-acetate CAS Name: copper(1+); 2-hydroxy-2-oxoacetate; N-methylcarbamic acid [3,5-dimethyl-4-(methylthio)phenyl] ester IUPAC Name: copper(1+); (3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate; 2-hydroxy-2-oxoacetate Traditional Name: cuprous N-methylcarbamic acid [3,5-dimethyl-4-(methylthio)phenyl] ester binoxalate Formula: C13H16CuNO6S MolecularWeight: 377.88024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC)C)OC(=O)NC.C(=O)(C(=O)[O-])O.[Cu+]

Isomeric SMILES

CC1=CC(=CC(=C1SC)C)OC(=O)NC.C(=O)(C(=O)[O-])O.[Cu+]

InChI

InChI=1S/C11H15NO2S.C2H2O4.Cu/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4;3-1(4)2(5)6;/h5-6H,1-4H3,(H,12,13);(H,3,4)(H,5,6);/q;;+1/p-1