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

Systemtic Name: 2-butoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid; 1-heptoxy-4-phenyl-benzene Openeye Name: 2-butoxycarbonyl-3,3,3-trifluoro-propanoic acid; 1-heptoxy-4-phenyl-benzene CAS Name: 2-[butoxy(oxo)methyl]-3,3,3-trifluoropropanoic acid; 1-heptoxy-4-phenylbenzene IUPAC Name: 2-butoxycarbonyl-3,3,3-trifluoropropanoic acid; 1-heptoxy-4-phenylbenzene Traditional Name: 2-butoxycarbonyl-3,3,3-trifluoro-propionic acid; 1-heptoxy-4-phenyl-benzene Formula: C27H35F3O5 MolecularWeight: 496.55901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H24O.C8H11F3O4/c1-2-3-4-5-9-16-20-19-14-12-18(13-15-19)17-10-7-6-8-11-17;1-2-3-4-15-7(14)5(6(12)13)8(9,10)11/h6-8,10-15H,2-5,9,16H2,1H3;5H,2-4H2,1H3,(H,12,13)