Mrv1572004191601222D          

  9  7  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  2  0  0  0  0
  9  6  2  0  0  0  0
  9  7  2  0  0  0  0
  9  8  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004465

> <DATABASE_NAME>
chemdb

> <SMILES>
O=S(=O)=O.OS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4);

> <INCHI_KEY>
HIFJUMGIHIZEPX-UHFFFAOYSA-N

> <FORMULA>
H2O7S2

> <MOLECULAR_WEIGHT>
178.13

> <EXACT_MASS>
177.924194752

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
6.509275968116302

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sulfonylideneoxidane; sulfuric acid

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
13.770800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sulfur trioxide; sulfuric acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Oleum (fuming sulfuric acid)

> <CAS>
8014-95-7

> <SYNONYMS>
Sulfuric acid (fuming); Sulfuric acid, fuming; Sulfuric acid, mixture with sulfur trioxide

$$$$