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

Systemtic Name: 1-hexyl-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-pentoxycarbonyl-propanoic acid Openeye Name: 1-hexyl-4-phenyl-benzene; 3,3,3-trifluoro-2-pentoxycarbonyl-propanoic acid CAS Name: 1-hexyl-4-phenylbenzene; 3,3,3-trifluoro-2-[oxo(pentoxy)methyl]propanoic acid IUPAC Name: 1-hexyl-4-phenylbenzene; 3,3,3-trifluoro-2-pentoxycarbonylpropanoic acid Traditional Name: 2-amoxycarbonyl-3,3,3-trifluoro-propionic acid; 1-hexyl-4-phenyl-benzene Formula: C27H35F3O4 MolecularWeight: 480.55961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22.C9H13F3O4/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17;1-2-3-4-5-16-8(15)6(7(13)14)9(10,11)12/h5,7-8,10-15H,2-4,6,9H2,1H3;6H,2-5H2,1H3,(H,13,14)