6415265
  -OEChem-05241303482D

 19 20  0     0  0  0  0  0  0999 V2000
    4.6783    0.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883    1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    1.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.0005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819   -0.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 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
M  END
> <PUBCHEM_COMPOUND_CID>
6415265

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
392

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByOABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAAHgQECAAADASB2AAwAYAQAAqoAqByAHBCAAAkCBAIiBkgAMgIIDKgFRCAIQAggAAoiYcIiICOAAAAAAAEAAAAAAAAAAgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E)-2-hydroxyimino-1,1-dioxo-benzothiophen-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(2E)-2-hydroxyimino-1,1-dioxo-1-benzothiophen-3-one

> <PUBCHEM_IUPAC_NAME>
(2E)-2-hydroxyimino-1,1-dioxo-1-benzothiophen-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E)-2-hydroxyimino-1,1-bis(oxidanylidene)-1-benzothiophen-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E)-2-hydroximino-1,1-diketo-benzothiophen-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H5NO4S/c10-7-5-3-1-2-4-6(5)14(12,13)8(7)9-11/h1-4,11H/b9-8+

> <PUBCHEM_IUPAC_INCHIKEY>
PMUIOXSTYQCLRU-CMDGGOBGSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
210.993929

> <PUBCHEM_MOLECULAR_FORMULA>
C8H5NO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
211.1946

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=O)C(=NO)S2(=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=O)/C(=N\O)/S2(=O)=O

> <PUBCHEM_CACTVS_TPSA>
92.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.993929

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  14  8
13  14  8
7  11  8
7  8  8
8  12  8

$$$$