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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O.C9H13F3O4/c1-2-3-4-5-9-16-20-19-14-12-18(13-15-19)17-10-7-6-8-11-17;1-2-3-4-5-16-8(15)6(7(13)14)9(10,11)12/h6-8,10-15H,2-5,9,16H2,1H3;6H,2-5H2,1H3,(H,13,14)