70633647
  -OEChem-04262410362D

 26 24  0     0  0  0  0  0  0999 V2000
    2.9705    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.3520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4705    1.7320    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8365    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    6.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    7.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    4.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    6.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    0.6760    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  CHG  3   3  -1   4  -1  26   1
M  END
> <PUBCHEM_COMPOUND_CID>
70633647

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
170

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAyBkAIyxoBABACAACRCQDCCCAAgIgAIiAAHbIgOJiKE8duBMCBk0BEI6AewQAAAAEAAAAQAEAAAgAAACAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hydron;4-methoxybenzene-1,3-diamine;sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
hydron;4-methoxybenzene-1,3-diamine;sulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
hydron;4-methoxybenzene-1,3-diamine;sulfate

> <PUBCHEM_IUPAC_NAME>
hydron;4-methoxybenzene-1,3-diamine;sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hydron;4-methoxybenzene-1,3-diamine;sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-amino-4-methoxy-phenyl)amine;hydron;sulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FDJQHYWUHGBBTO-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
235.03886763

> <PUBCHEM_MOLECULAR_FORMULA>
C7H11N2O5S-

> <PUBCHEM_MOLECULAR_WEIGHT>
235.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
[H+].COC1=C(C=C(C=C1)N)N.[O-]S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[H+].COC1=C(C=C(C=C1)N)N.[O-]S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
150

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
235.03886763

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  12  8
11  14  8
13  14  8
9  10  8
9  12  8

$$$$