(1S,3R,4R,5S)-1,3,4-tris(oxidanyl)-5-(2-oxidanylpropyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1S,3R,4R,5S)-1,3,4-tris(oxidanyl)-5-(2-oxidanylpropyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(2-hydroxypropyl)cyclohexanecarboxylic acid CAS Name: (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(2-hydroxypropyl)-1-cyclohexanecarboxylic acid IUPAC Name: (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(2-hydroxypropyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(2-hydroxypropyl)cyclohexanecarboxylic acid Formula: C10H18O6 MolecularWeight: 234.24632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CC(CC(C1O)O)(C(=O)O)O)O

Isomeric SMILES

CC(C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O)O

InChI

InChI=1S/C10H18O6/c1-5(11)2-6-3-10(16,9(14)15)4-7(12)8(6)13/h5-8,11-13,16H,2-4H2,1H3,(H,14,15)/t5?,6-,7+,8+,10-/m0/s1