11508569
  -OEChem-05241301352D

 31 26  0     1  0  0  0  0  0999 V2000
    2.0000    0.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1962    3.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5 19  1  0  0  0  0
  6 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 20  2  0  0  0  0
 10 21  2  0  0  0  0
 11 22  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1   5  -1   7  -1   8  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11508569

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByPDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAACCjBgAQACAMAAAAIAACQCAAAAAAAAAAAAAGIAAACABIAgCAEAAAEAACQAACsJgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrasodium;2-[bis(carboxylatomethyl)amino]pentanedioate

> <PUBCHEM_IUPAC_CAS_NAME>
tetrasodium;2-[bis(carboxylatomethyl)amino]pentanedioate

> <PUBCHEM_IUPAC_NAME>
tetrasodium;2-[bis(carboxylatomethyl)amino]pentanedioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrasodium;2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]pentanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrasodium;2-[bis(carboxylatomethyl)amino]glutarate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4

> <PUBCHEM_IUPAC_INCHIKEY>
UZVUJVFQFNHRSY-UHFFFAOYSA-J

> <PUBCHEM_EXACT_MASS>
350.991893

> <PUBCHEM_MOLECULAR_FORMULA>
C9H9NNa4O8

> <PUBCHEM_MOLECULAR_WEIGHT>
351.128737

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

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

> <PUBCHEM_CACTVS_TPSA>
164

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.991893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  23  3

$$$$