4-decoxy-4-[2-(2-ethoxypropoxy)phenyl]cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-decoxy-4-[2-(2-ethoxypropoxy)phenyl]cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-decoxy-4-[2-(2-ethoxypropoxy)phenyl]cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-decoxy-4-[2-(2-ethoxypropoxy)phenyl]-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-decoxy-4-[2-(2-ethoxypropoxy)phenyl]cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-decoxy-4-[2-(2-ethoxypropoxy)phenyl]cyclohexa-2,5-diene-1-carboxylic acid Formula: C28H42O5 MolecularWeight: 458.63008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1(C=CC(C=C1)C(=O)O)C2=CC=CC=C2OCC(C)OCC

Isomeric SMILES

CCCCCCCCCCOC1(C=CC(C=C1)C(=O)O)C2=CC=CC=C2OCC(C)OCC

InChI

InChI=1S/C28H42O5/c1-4-6-7-8-9-10-11-14-21-33-28(19-17-24(18-20-28)27(29)30)25-15-12-13-16-26(25)32-22-23(3)31-5-2/h12-13,15-20,23-24H,4-11,14,21-22H2,1-3H3,(H,29,30)