635956
  -OEChem-04252422542D

 65 68  0     0  0  0  0  0  0999 V2000
    5.7268    0.0987    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    5.8083    1.6510    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.3915    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    0.8419    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.8660   -0.8915    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.1391    0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8027    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5352   -0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -1.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2149    2.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137    1.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7972    1.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4487   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2258    2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1138   -2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5716    0.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2121    2.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8049   -1.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0106    3.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -2.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5739    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714    0.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030   -2.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695    4.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8669    2.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -4.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1604   -0.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030   -4.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -1.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 14  2  0  0  0  0
  6 38  1  0  0  0  0
  7 15  2  0  0  0  0
  7 39  1  0  0  0  0
  8 16  2  0  0  0  0
  8 40  1  0  0  0  0
  9 17  2  0  0  0  0
  9 41  1  0  0  0  0
 10 18  2  0  0  0  0
 10 22  1  0  0  0  0
 11 19  2  0  0  0  0
 11 23  1  0  0  0  0
 12 20  2  0  0  0  0
 12 24  1  0  0  0  0
 13 21  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 26  1  0  0  0  0
 18 46  1  0  0  0  0
 19 27  1  0  0  0  0
 19 47  1  0  0  0  0
 20 28  1  0  0  0  0
 20 48  1  0  0  0  0
 21 29  1  0  0  0  0
 21 49  1  0  0  0  0
 22 30  2  0  0  0  0
 22 50  1  0  0  0  0
 23 31  2  0  0  0  0
 23 51  1  0  0  0  0
 24 32  2  0  0  0  0
 24 52  1  0  0  0  0
 25 33  2  0  0  0  0
 25 53  1  0  0  0  0
 26 34  2  0  0  0  0
 26 54  1  0  0  0  0
 27 35  2  0  0  0  0
 27 55  1  0  0  0  0
 28 36  2  0  0  0  0
 28 56  1  0  0  0  0
 29 37  2  0  0  0  0
 29 57  1  0  0  0  0
 30 34  1  0  0  0  0
 30 58  1  0  0  0  0
 31 35  1  0  0  0  0
 31 59  1  0  0  0  0
 32 36  1  0  0  0  0
 32 60  1  0  0  0  0
 33 37  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
635956

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
487

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8AAMAAAAgAAAAAAAAAAAAAYMAAAAwYMGAAAAAAAABVAAAGAgAAAAACACAEAAwAIAAACCAACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ferrous;cyclopenta-2,4-dien-1-yl(diphenyl)phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclopenta-2,4-dienyl(diphenyl)phosphine;iron(2+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;iron(2+)

> <PUBCHEM_IUPAC_NAME>
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;iron(2+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;iron(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ferrous;cyclopenta-2,4-dien-1-yl(diphenyl)phosphine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q2*-1;+2

> <PUBCHEM_IUPAC_INCHIKEY>
KZPYGQFFRCFCPP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
554.101560

> <PUBCHEM_MOLECULAR_FORMULA>
C34H28FeP2

> <PUBCHEM_MOLECULAR_WEIGHT>
554.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.[Fe+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.[Fe+2]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
554.101560

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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_NONSTANDARDBOND>
1  4  6
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
10  22  8
11  19  8
11  23  8
12  20  8
12  24  8
13  21  8
13  25  8
14  15  8
16  17  8
18  26  8
19  27  8
20  28  8
21  29  8
22  30  8
23  31  8
24  32  8
25  33  8
26  34  8
27  35  8
28  36  8
29  37  8
30  34  8
31  35  8
32  36  8
33  37  8
4  6  8
4  7  8
5  8  8
5  9  8
6  14  8
7  15  8
8  16  8
9  17  8

$$$$