1-heptoxy-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-hexoxycarbonyl-propanoic acid

Systemtic Name: 1-heptoxy-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-hexoxycarbonyl-propanoic acid Openeye Name: 1-heptoxy-4-phenyl-benzene; 3,3,3-trifluoro-2-hexoxycarbonyl-propanoic acid CAS Name: 1-heptoxy-4-phenylbenzene; 3,3,3-trifluoro-2-[hexoxy(oxo)methyl]propanoic acid IUPAC Name: 1-heptoxy-4-phenylbenzene; 3,3,3-trifluoro-2-hexoxycarbonylpropanoic acid Traditional Name: 1-heptoxy-4-phenyl-benzene; 3,3,3-trifluoro-2-hexoxycarbonyl-propionic acid Formula: C29H39F3O5 MolecularWeight: 524.61217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCCCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCCCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H24O.C10H15F3O4/c1-2-3-4-5-9-16-20-19-14-12-18(13-15-19)17-10-7-6-8-11-17;1-2-3-4-5-6-17-9(16)7(8(14)15)10(11,12)13/h6-8,10-15H,2-5,9,16H2,1H3;7H,2-6H2,1H3,(H,14,15)