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

Systemtic Name: 2-butoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid; 1-hexoxy-4-phenyl-benzene Openeye Name: 2-butoxycarbonyl-3,3,3-trifluoro-propanoic acid; 1-hexoxy-4-phenyl-benzene CAS Name: 2-[butoxy(oxo)methyl]-3,3,3-trifluoropropanoic acid; 1-hexoxy-4-phenylbenzene IUPAC Name: 2-butoxycarbonyl-3,3,3-trifluoropropanoic acid; 1-hexoxy-4-phenylbenzene Traditional Name: 2-butoxycarbonyl-3,3,3-trifluoro-propionic acid; 1-hexoxy-4-phenyl-benzene Formula: C26H33F3O5 MolecularWeight: 482.53243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.CCCCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H22O.C8H11F3O4/c1-2-3-4-8-15-19-18-13-11-17(12-14-18)16-9-6-5-7-10-16;1-2-3-4-15-7(14)5(6(12)13)8(9,10)11/h5-7,9-14H,2-4,8,15H2,1H3;5H,2-4H2,1H3,(H,12,13)