1-decyl-4-phenyl-benzene; 2-ethoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid

Systemtic Name: 1-decyl-4-phenyl-benzene; 2-ethoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid Openeye Name: 1-decyl-4-phenyl-benzene; 2-ethoxycarbonyl-3,3,3-trifluoro-propanoic acid CAS Name: 1-decyl-4-phenylbenzene; 2-ethoxycarbonyl-3,3,3-trifluoropropanoic acid IUPAC Name: 1-decyl-4-phenylbenzene; 2-ethoxycarbonyl-3,3,3-trifluoropropanoic acid Traditional Name: 2-carbethoxy-3,3,3-trifluoro-propionic acid; 1-decyl-4-phenyl-benzene Formula: C28H37F3O4 MolecularWeight: 494.58619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C22H30.C6H7F3O4/c1-2-3-4-5-6-7-8-10-13-20-16-18-22(19-17-20)21-14-11-9-12-15-21;1-2-13-5(12)3(4(10)11)6(7,8)9/h9,11-12,14-19H,2-8,10,13H2,1H3;3H,2H2,1H3,(H,10,11)