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

Systemtic Name: 1-hexyl-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-propoxycarbonyl-propanoic acid Openeye Name: 1-hexyl-4-phenyl-benzene; 3,3,3-trifluoro-2-propoxycarbonyl-propanoic acid CAS Name: 1-hexyl-4-phenylbenzene; 3,3,3-trifluoro-2-[oxo(propoxy)methyl]propanoic acid IUPAC Name: 1-hexyl-4-phenylbenzene; 3,3,3-trifluoro-2-propoxycarbonylpropanoic acid Traditional Name: 1-hexyl-4-phenyl-benzene; 3,3,3-trifluoro-2-propoxycarbonyl-propionic acid Formula: C25H31F3O4 MolecularWeight: 452.50645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H22.C7H9F3O4/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17;1-2-3-14-6(13)4(5(11)12)7(8,9)10/h5,7-8,10-15H,2-4,6,9H2,1H3;4H,2-3H2,1H3,(H,11,12)