426375
  DSViewer          2D                             0

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M  END
> <PUBCHEM.CACTVS.TAU.HASH>
31D3CB5C1F619798

> <PUBCHEM.ROTATABLE.BOND>
3

> <PUBCHEM.NIST.INCHI>
INChI=1.12Beta/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h1H3,2-10H,11H2

> <PUBCHEM.MF>
C17H14O4S

> <PUBCHEM.CACTVS.CAN.HASH>
250C74F2D707D865

> <PUBCHEM.BONDANNOTATIONS>
10  14  8
9  14  8
8  13  8
8  10  8
7  13  8
7  9  8
6  12  8
5  12  8
4  6  8
3  5  8
2  4  8
2  3  8

> <PUBCHEM.CACTVS.COMPLEXITY>
535.397

> <PUBCHEM.CACTVS.STE.HASH>
250C74F2D707D865

> <PUBCHEM.MW>
314.357

> <PUBCHEM.CACTVS.XLOGP>
3.019

> <PUBCHEM.CACTVS.ISO.HASH>
250C74F2D707D865

> <PUBCHEM.CACTVS.STEISO.HASH>
250C74F2D707D865

> <PUBCHEM.CAN.SMILES>
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

> <PUBCHEM.ISO.SMILES>
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

> <PUBCHEM.HBOND.ACCEPTOR>
4

> <PUBCHEM.HBOND.DONOR>
0

> <PUBCHEM.IUPAC.NAME>
4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one

> <PUBCHEM.COMPOUND.ID>
426375

$$$$