(1S,3S,4R,5S)-3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,3S,4R,5S)-3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylate Openeye Name: (1S,3S,4R,5S)-1,3,4-trihydroxy-5-methyl-cyclohexanecarboxylate CAS Name: (1S,3S,4R,5S)-1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylate IUPAC Name: (1S,3S,4R,5S)-1,3,4-trihydroxy-5-methylcyclohexane-1-carboxylate Traditional Name: (1S,3S,4R,5S)-1,3,4-trihydroxy-5-methyl-cyclohexanecarboxylate Formula: C8H13O5- MolecularWeight: 189.18582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1O)O)(C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C8H14O5/c1-4-2-8(13,7(11)12)3-5(9)6(4)10/h4-6,9-10,13H,2-3H2,1H3,(H,11,12)/p-1/t4-,5-,6+,8-/m0/s1