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

Systemtic Name: 1-nonoxy-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-pentoxycarbonyl-propanoic acid Openeye Name: 1-nonoxy-4-phenyl-benzene; 3,3,3-trifluoro-2-pentoxycarbonyl-propanoic acid CAS Name: 1-nonoxy-4-phenylbenzene; 3,3,3-trifluoro-2-[oxo(pentoxy)methyl]propanoic acid IUPAC Name: 1-nonoxy-4-phenylbenzene; 3,3,3-trifluoro-2-pentoxycarbonylpropanoic acid Traditional Name: 2-amoxycarbonyl-3,3,3-trifluoro-propionic acid; 1-nonoxy-4-phenyl-benzene Formula: C30H41F3O5 MolecularWeight: 538.63875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C21H28O.C9H13F3O4/c1-2-3-4-5-6-7-11-18-22-21-16-14-20(15-17-21)19-12-9-8-10-13-19;1-2-3-4-5-16-8(15)6(7(13)14)9(10,11)12/h8-10,12-17H,2-7,11,18H2,1H3;6H,2-5H2,1H3,(H,13,14)