Chemical Component Summary

Name2,2-dimethyl-3-dehydroquinic acid
Identifiers(1R,4S,5R)-2,2-dimethyl-1,4,5-tris(oxidanyl)-3-oxidanylidene-cyclohexane-1-carboxylic acid
FormulaC9 H14 O6
Molecular Weight218.204
TypeNON-POLYMER
Isomeric SMILESCC1(C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C
InChIInChI=1S/C9H14O6/c1-8(2)6(12)5(11)4(10)3-9(8,15)7(13)14/h4-5,10-11,15H,3H2,1-2H3,(H,13,14)/t4-,5+,9+/m1/s1
InChIKeyFWOMLGVRVSLROK-YZNMAWMESA-N

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count3
Bond Count29
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 91663999