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

Systemtic Name: 2-ethoxycarbonyl-3,3,3-tris(fluoranyl)propanoic acid; 1-hexyl-4-phenyl-benzene Openeye Name: 2-ethoxycarbonyl-3,3,3-trifluoro-propanoic acid; 1-hexyl-4-phenyl-benzene CAS Name: 2-ethoxycarbonyl-3,3,3-trifluoropropanoic acid; 1-hexyl-4-phenylbenzene IUPAC Name: 2-ethoxycarbonyl-3,3,3-trifluoropropanoic acid; 1-hexyl-4-phenylbenzene Traditional Name: 2-carbethoxy-3,3,3-trifluoro-propionic acid; 1-hexyl-4-phenyl-benzene Formula: C24H29F3O4 MolecularWeight: 438.47987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCOC(=O)C(C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCOC(=O)C(C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H22.C6H7F3O4/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17;1-2-13-5(12)3(4(10)11)6(7,8)9/h5,7-8,10-15H,2-4,6,9H2,1H3;3H,2H2,1H3,(H,10,11)