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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O.C10H15F3O4/c1-2-3-4-8-15-19-18-13-11-17(12-14-18)16-9-6-5-7-10-16;1-2-3-4-5-6-17-9(16)7(8(14)15)10(11,12)13/h5-7,9-14H,2-4,8,15H2,1H3;7H,2-6H2,1H3,(H,14,15)