26402
  -OEChem-04262408482D

 37 33  0     1  0  0  0  0  0999 V2000
    3.1827    2.2184    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -3.7185    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.4966    0.0213    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.7673    1.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0240    2.7590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3057    3.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6580   -3.2185    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.8785    0.8073    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7919   -1.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5170   -0.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5240   -0.7185    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.2806    1.3088    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4835   -0.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1383    0.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   -0.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8652    2.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5240   -1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    1.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9096    0.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0240    2.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6580   -2.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    0.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4540   -1.0561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1483    0.0848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5744    0.5765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889   -0.6672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8997    0.0848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4824    2.2773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967    1.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7360   -2.3011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346   -1.6109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8170    1.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770    2.0401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1536    1.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    3.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 20  1  0  0  0  0
  4 36  1  0  0  0  0
  5 21  1  0  0  0  0
  5 37  1  0  0  0  0
  6 20  2  0  0  0  0
  7 21  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 22  2  0  0  0  0
 11 23  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  CHG  4   2   1   3   1   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
26402

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
342

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPDAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADBgAQACAMAAgAIAACQCAAAAAAAAAAAAACIAAACQAAAACAQAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper

> <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper

> <PUBCHEM_IUPAC_NAME>
disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;copper;2-[2-hydroxy-2-oxoethyl-[2-[2-hydroxy-2-oxoethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;copper

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16N2O8.Cu.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;;2*+1/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
LWEGEAWFSZTHML-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
398.984151

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14CuN2Na2O8

> <PUBCHEM_MOLECULAR_WEIGHT>
399.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Cu]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Cu]

> <PUBCHEM_CACTVS_TPSA>
161

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
398.984151

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_NONSTANDARDBOND>
1  4  6
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$