2-ethoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid; 1-octoxy-4-phenyl-benzene

Systemtic Name: 2-ethoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid; 1-octoxy-4-phenyl-benzene Openeye Name: 2-ethoxycarbonyl-3,3,3-trifluoro-propanoic acid; 1-octoxy-4-phenyl-benzene CAS Name: 2-ethoxycarbonyl-3,3,3-trifluoropropanoic acid; 1-octoxy-4-phenylbenzene IUPAC Name: 2-ethoxycarbonyl-3,3,3-trifluoropropanoic acid; 1-octoxy-4-phenylbenzene Traditional Name: 2-carbethoxy-3,3,3-trifluoro-propionic acid; 1-octoxy-4-phenyl-benzene Formula: C26H33F3O5 MolecularWeight: 482.53243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H26O.C6H7F3O4/c1-2-3-4-5-6-10-17-21-20-15-13-19(14-16-20)18-11-8-7-9-12-18;1-2-13-5(12)3(4(10)11)6(7,8)9/h7-9,11-16H,2-6,10,17H2,1H3;3H,2H2,1H3,(H,10,11)