potassium (5S,6R)-5,6-bis(oxidanyl)-4-propyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: potassium (5S,6R)-5,6-bis(oxidanyl)-4-propyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: potassium (5S,6R)-5,6-dihydroxy-4-propyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: potassium (5S,6R)-5,6-dihydroxy-4-propyl-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: potassium (5S,6R)-5,6-dihydroxy-4-propylcyclohexa-1,3-diene-1-carboxylate Traditional Name: potassium (5S,6R)-5,6-dihydroxy-4-propyl-cyclohexa-1,3-diene-1-carboxylate Formula: C10H13KO4 MolecularWeight: 236.30612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C(C1O)O)C(=O)[O-].[K+]

Isomeric SMILES

CCCC1=CC=C([C@H]([C@H]1O)O)C(=O)[O-].[K+]

InChI

InChI=1S/C10H14O4.K/c1-2-3-6-4-5-7(10(13)14)9(12)8(6)11;/h4-5,8-9,11-12H,2-3H2,1H3,(H,13,14);/q;+1/p-1/t8-,9+;/m0./s1