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

Systemtic Name: 1-octyl-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-pentoxycarbonyl-propanoic acid Openeye Name: 1-octyl-4-phenyl-benzene; 3,3,3-trifluoro-2-pentoxycarbonyl-propanoic acid CAS Name: 1-octyl-4-phenylbenzene; 3,3,3-trifluoro-2-[oxo(pentoxy)methyl]propanoic acid IUPAC Name: 1-octyl-4-phenylbenzene; 3,3,3-trifluoro-2-pentoxycarbonylpropanoic acid Traditional Name: 2-amoxycarbonyl-3,3,3-trifluoro-propionic acid; 1-octyl-4-phenyl-benzene Formula: C29H39F3O4 MolecularWeight: 508.61277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26.C9H13F3O4/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19;1-2-3-4-5-16-8(15)6(7(13)14)9(10,11)12/h7,9-10,12-17H,2-6,8,11H2,1H3;6H,2-5H2,1H3,(H,13,14)