1,1,1-tris(fluoranyl)nonan-2-yl 4-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)carbonyloxybenzoate

Systemtic Name: 1,1,1-tris(fluoranyl)nonan-2-yl 4-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)carbonyloxybenzoate Openeye Name: 1-(trifluoromethyl)octyl 4-(6-oxocyclohexa-1,3-diene-1-carbonyl)oxybenzoate CAS Name: 4-[oxo-(6-oxo-1-cyclohexa-1,3-dienyl)methoxy]benzoic acid 1,1,1-trifluorononan-2-yl ester IUPAC Name: 1,1,1-trifluorononan-2-yl 4-(6-oxocyclohexa-1,3-diene-1-carbonyl)oxybenzoate Traditional Name: 4-(6-ketocyclohexa-1,3-diene-1-carbonyl)oxybenzoic acid 1-(trifluoromethyl)octyl ester Formula: C23H25F3O5 MolecularWeight: 438.43681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CCC2=O

Isomeric SMILES

CCCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CCC2=O

InChI

InChI=1S/C23H25F3O5/c1-2-3-4-5-6-11-20(23(24,25)26)31-21(28)16-12-14-17(15-13-16)30-22(29)18-9-7-8-10-19(18)27/h7-9,12-15,20H,2-6,10-11H2,1H3