1-octoxy-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-propoxycarbonyl-propanoic acid

Systemtic Name: 1-octoxy-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-propoxycarbonyl-propanoic acid Openeye Name: 1-octoxy-4-phenyl-benzene; 3,3,3-trifluoro-2-propoxycarbonyl-propanoic acid CAS Name: 1-octoxy-4-phenylbenzene; 3,3,3-trifluoro-2-[oxo(propoxy)methyl]propanoic acid IUPAC Name: 1-octoxy-4-phenylbenzene; 3,3,3-trifluoro-2-propoxycarbonylpropanoic acid Traditional Name: 1-octoxy-4-phenyl-benzene; 3,3,3-trifluoro-2-propoxycarbonyl-propionic acid Formula: C27H35F3O5 MolecularWeight: 496.55901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H26O.C7H9F3O4/c1-2-3-4-5-6-10-17-21-20-15-13-19(14-16-20)18-11-8-7-9-12-18;1-2-3-14-6(13)4(5(11)12)7(8,9)10/h7-9,11-16H,2-6,10,17H2,1H3;4H,2-3H2,1H3,(H,11,12)