1-decoxy-4-phenyl-benzene; 4-[3-(trifluoromethyl)nonoxy]benzoic acid

Systemtic Name: 1-decoxy-4-phenyl-benzene; 4-[3-(trifluoromethyl)nonoxy]benzoic acid Openeye Name: 1-decoxy-4-phenyl-benzene; 4-[3-(trifluoromethyl)nonoxy]benzoic acid CAS Name: 1-decoxy-4-phenylbenzene; 4-[3-(trifluoromethyl)nonoxy]benzoic acid IUPAC Name: 1-decoxy-4-phenylbenzene; 4-[3-(trifluoromethyl)nonoxy]benzoic acid Traditional Name: 1-decoxy-4-phenyl-benzene; 4-[3-(trifluoromethyl)nonoxy]benzoic acid Formula: C39H53F3O4 MolecularWeight: 642.83093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCCCC(CCOC1=CC=C(C=C1)C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCCCC(CCOC1=CC=C(C=C1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C22H30O.C17H23F3O3/c1-2-3-4-5-6-7-8-12-19-23-22-17-15-21(16-18-22)20-13-10-9-11-14-20;1-2-3-4-5-6-14(17(18,19)20)11-12-23-15-9-7-13(8-10-15)16(21)22/h9-11,13-18H,2-8,12,19H2,1H3;7-10,14H,2-6,11-12H2,1H3,(H,21,22)