24638
  -OEChem-05132414232D

  6  5  0     0  0  0  0  0  0999 V2000
    4.2690    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24638

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
92.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMABEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAIAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sulfurochloridic acid

> <PUBCHEM_IUPAC_CAS_NAME>
sulfurochloridic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
sulfurochloridic acid

> <PUBCHEM_IUPAC_NAME>
sulfurochloridic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sulfurochloridic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfurochloridic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
XTHPWXDJESJLNJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.1

> <PUBCHEM_EXACT_MASS>
115.9334928

> <PUBCHEM_MOLECULAR_FORMULA>
ClHO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
116.53

> <PUBCHEM_OPENEYE_CAN_SMILES>
OS(=O)(=O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
OS(=O)(=O)Cl

> <PUBCHEM_CACTVS_TPSA>
62.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
115.9334928

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$