3-(5,5-dioctoxypentoxy)-2-oxidanyl-benzoate

Systemtic Name: 3-(5,5-dioctoxypentoxy)-2-oxidanyl-benzoate Openeye Name: 3-(5,5-dioctoxypentoxy)-2-hydroxy-benzoate CAS Name: 3-(5,5-dioctoxypentoxy)-2-hydroxybenzoate IUPAC Name: 3-(5,5-dioctoxypentoxy)-2-hydroxybenzoate Traditional Name: 3-(5,5-dioctoxypentoxy)-2-hydroxy-benzoate Formula: C28H47O6- MolecularWeight: 479.66918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(CCCCOC1=CC=CC(=C1O)C(=O)[O-])OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(CCCCOC1=CC=CC(=C1O)C(=O)[O-])OCCCCCCCC

InChI

InChI=1S/C28H48O6/c1-3-5-7-9-11-14-22-33-26(34-23-15-12-10-8-6-4-2)20-13-16-21-32-25-19-17-18-24(27(25)29)28(30)31/h17-19,26,29H,3-16,20-23H2,1-2H3,(H,30,31)/p-1