FSQ

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Summary

Name:(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid
Formula:C8 H14 O5
Formal charge:0
Molecular weight:190.194 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H14O5/c1-8(13)3-4(7(11)12)2-5(9)6(8)10/h4-6,9-10,13H,2-3H2,1H3,(H,11,12)/t4-,5+,6-,8+/m0/s1
InChIKeyInChI1.03OFMSIUGUPGSXKY-SKHQTKALSA-N
SMILES_CANONICALCACTVS3.385C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
SMILESCACTVS3.385C[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O
SMILESOpenEye OEToolkits2.0.6CC1(CC(CC(C1O)O)C(=O)O)O