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

Systemtic Name: 2-butoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid; 1-octoxy-4-phenyl-benzene Openeye Name: 2-butoxycarbonyl-3,3,3-trifluoro-propanoic acid; 1-octoxy-4-phenyl-benzene CAS Name: 2-[butoxy(oxo)methyl]-3,3,3-trifluoropropanoic acid; 1-octoxy-4-phenylbenzene IUPAC Name: 2-butoxycarbonyl-3,3,3-trifluoropropanoic acid; 1-octoxy-4-phenylbenzene Traditional Name: 2-butoxycarbonyl-3,3,3-trifluoro-propionic acid; 1-octoxy-4-phenyl-benzene Formula: C28H37F3O5 MolecularWeight: 510.58559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O.C8H11F3O4/c1-2-3-4-5-6-10-17-21-20-15-13-19(14-16-20)18-11-8-7-9-12-18;1-2-3-4-15-7(14)5(6(12)13)8(9,10)11/h7-9,11-16H,2-6,10,17H2,1H3;5H,2-4H2,1H3,(H,12,13)