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

Systemtic Name: 1-octoxy-4-phenyl-benzene; 3,3,3-tris(fluoranyl)-2-hexoxycarbonyl-propanoic acid Openeye Name: 1-octoxy-4-phenyl-benzene; 3,3,3-trifluoro-2-hexoxycarbonyl-propanoic acid CAS Name: 1-octoxy-4-phenylbenzene; 3,3,3-trifluoro-2-[hexoxy(oxo)methyl]propanoic acid IUPAC Name: 1-octoxy-4-phenylbenzene; 3,3,3-trifluoro-2-hexoxycarbonylpropanoic acid Traditional Name: 1-octoxy-4-phenyl-benzene; 3,3,3-trifluoro-2-hexoxycarbonyl-propionic acid Formula: C30H41F3O5 MolecularWeight: 538.63875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O.C10H15F3O4/c1-2-3-4-5-6-10-17-21-20-15-13-19(14-16-20)18-11-8-7-9-12-18;1-2-3-4-5-6-17-9(16)7(8(14)15)10(11,12)13/h7-9,11-16H,2-6,10,17H2,1H3;7H,2-6H2,1H3,(H,14,15)