4-(4-decoxy-2-fluoranyl-4-methyl-pentoxy)-3-fluoranyl-benzoate

Systemtic Name: 4-(4-decoxy-2-fluoranyl-4-methyl-pentoxy)-3-fluoranyl-benzoate Openeye Name: 4-(4-decoxy-2-fluoro-4-methyl-pentoxy)-3-fluoro-benzoate CAS Name: 4-(4-decoxy-2-fluoro-4-methylpentoxy)-3-fluorobenzoate IUPAC Name: 4-(4-decoxy-2-fluoro-4-methylpentoxy)-3-fluorobenzoate Traditional Name: 4-(4-decoxy-2-fluoro-4-methyl-pentoxy)-3-fluoro-benzoate Formula: C23H35F2O4- MolecularWeight: 413.518406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(C)(C)CC(COC1=C(C=C(C=C1)C(=O)[O-])F)F

Isomeric SMILES

CCCCCCCCCCOC(C)(C)CC(COC1=C(C=C(C=C1)C(=O)[O-])F)F

InChI

InChI=1S/C23H36F2O4/c1-4-5-6-7-8-9-10-11-14-29-23(2,3)16-19(24)17-28-21-13-12-18(22(26)27)15-20(21)25/h12-13,15,19H,4-11,14,16-17H2,1-3H3,(H,26,27)/p-1