34367
  -OEChem-06302402092D

 29 31  0     0  0  0  0  0  0999 V2000
    6.2594    2.6618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    1.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -2.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -2.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0798   -0.0567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3153    1.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168    0.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -0.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -0.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -3.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -3.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607   -1.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -1.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -2.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -2.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
34367

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
296

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAEAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAGgIAAAAADQCgmAIwCIAABACIAiBKCAACAAAgAAAIiAAAAIgIICKAERCAIAAkwAEIiAeAwPAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9H-fluoren-9-ylmethyl carbonochloridate

> <PUBCHEM_IUPAC_CAS_NAME>
carbonochloridic acid 9H-fluoren-9-ylmethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
9<I>H</I>-fluoren-9-ylmethyl carbonochloridate

> <PUBCHEM_IUPAC_NAME>
9H-fluoren-9-ylmethyl carbonochloridate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9H-fluoren-9-ylmethyl carbonochloridate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
chlorocarbonic acid 9H-fluoren-9-ylmethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2

> <PUBCHEM_IUPAC_INCHIKEY>
IRXSLJNXXZKURP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
258.0447573

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11ClO2

> <PUBCHEM_MOLECULAR_WEIGHT>
258.70

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
258.0447573

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  16  8
15  17  8
5  10  8
5  7  8
6  11  8
6  8  8
7  12  8
8  13  8

$$$$
