[7-ethoxy-1,1,1-tris(fluoranyl)-5-oxidanyl-heptan-2-yl] benzoate

Systemtic Name: [7-ethoxy-1,1,1-tris(fluoranyl)-5-oxidanyl-heptan-2-yl] benzoate Openeye Name: [6-ethoxy-4-hydroxy-1-(trifluoromethyl)hexyl] benzoate CAS Name: benzoic acid (7-ethoxy-1,1,1-trifluoro-5-hydroxyheptan-2-yl) ester IUPAC Name: (7-ethoxy-1,1,1-trifluoro-5-hydroxyheptan-2-yl) benzoate Traditional Name: benzoic acid [6-ethoxy-4-hydroxy-1-(trifluoromethyl)hexyl] ester Formula: C16H21F3O4 MolecularWeight: 334.33075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(CCC(C(F)(F)F)OC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCOCCC(CCC(C(F)(F)F)OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C16H21F3O4/c1-2-22-11-10-13(20)8-9-14(16(17,18)19)23-15(21)12-6-4-3-5-7-12/h3-7,13-14,20H,2,8-11H2,1H3