(2Z)-2-(propan-2-yl)but-2-enedioate
  CDK    2/12/10,15:27

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.3618   -2.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871   -3.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047   -3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0242   -2.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -2.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5442   -2.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8419   -2.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -2.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7803   -4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3748   -4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5499   -4.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  6  1  1  0  0  0  0 
  5  1  2  0  0  0  0 
  3  2  2  0  0  0  0 
 10  2  1  0  0  0  0 
  4  3  1  0  0  0  0 
  8  4  2  0  0  0  0 
  7  4  1  0  0  0  0 
 10  9  1  0  0  0  0 
 11 10  1  0  0  0  0 
M  CHG  1   6  -1
M  CHG  1   7  -1
M  END
> <ID>
CHEBI:58085

> <NAME>
2-isopropylmaleate(2-)

> <DEFINITION>
Dicarboxylate anion of 2-isopropylmaleic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
2-isopropylmaleate dianion; 2-isopropylmaleate; 2-isopropylmaleate; (2Z)-2-(propan-2-yl)but-2-enedioate

> <IUPAC_NAME>
(2L)-2-isopropylbut-2-enedioate

> <FORMULA>
C7H8O4

> <MASS>
156.13600

> <MONOISOTOPIC_MASS>
156.04336

> <CHARGE>
-2

> <SMILES>
CC(C)C(\C([O-])=O)=C\C([O-])=O

> <INCHI>
InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/p-2/b5-3-

> <INCHIKEY>
NJMGRJLQRLFQQX-HYXAFXHYSA-L

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