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

Systemtic Name: 1-octyl-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-propoxycarbonyl-propanoic acid Openeye Name: 1-octyl-4-phenyl-benzene; 3,3,3-trifluoro-2-propoxycarbonyl-propanoic acid CAS Name: 1-octyl-4-phenylbenzene; 3,3,3-trifluoro-2-[oxo(propoxy)methyl]propanoic acid IUPAC Name: 1-octyl-4-phenylbenzene; 3,3,3-trifluoro-2-propoxycarbonylpropanoic acid Traditional Name: 1-octyl-4-phenyl-benzene; 3,3,3-trifluoro-2-propoxycarbonyl-propionic acid Formula: C27H35F3O4 MolecularWeight: 480.55961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H26.C7H9F3O4/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19;1-2-3-14-6(13)4(5(11)12)7(8,9)10/h7,9-10,12-17H,2-6,8,11H2,1H3;4H,2-3H2,1H3,(H,11,12)