(5S,6R)-5,6-bis(oxidanyl)-4-pentyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: (5S,6R)-5,6-bis(oxidanyl)-4-pentyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: (5S,6R)-5,6-dihydroxy-4-pentyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: (5S,6R)-5,6-dihydroxy-4-pentyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: (5S,6R)-5,6-dihydroxy-4-pentylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: (5S,6R)-4-amyl-5,6-dihydroxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C(C1O)O)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C([C@H]([C@H]1O)O)C(=O)O

InChI

InChI=1S/C12H18O4/c1-2-3-4-5-8-6-7-9(12(15)16)11(14)10(8)13/h6-7,10-11,13-14H,2-5H2,1H3,(H,15,16)/t10-,11+/m0/s1