11194830
  -OEChem-04252413042D

 12 11  0     0  0  0  0  0  0999 V2000
    5.7281   -1.2736    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.2652    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -0.9646    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3122    0.6827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.7752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.7752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11194830

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
97.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgMABAAAAEAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgQAAAAACACE0ACwCYAAAAiMACDSCAADAIAkCBBIiBkACMgIJjKgFRCAEQAkwAEoiYaIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cuprous;thiophene-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
copper(1+);2-thiophenecarboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
copper(1+);thiophene-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
copper(1+);thiophene-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
copper(1+);thiophene-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cuprous;2-thenoate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H4O2S.Cu/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
SFJMFSWCBVEHBA-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
189.914973

> <PUBCHEM_MOLECULAR_FORMULA>
C5H3CuO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
190.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CSC(=C1)C(=O)[O-].[Cu+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CSC(=C1)C(=O)[O-].[Cu+]

> <PUBCHEM_CACTVS_TPSA>
68.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
189.914973

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  5  8
2  8  8
5  6  8
6  7  8
7  8  8

$$$$