4,4,5,5,6,6,7,7,8,8,8-undecakis(fluoranyl)-3-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 4,4,5,5,6,6,7,7,8,8,8-undecakis(fluoranyl)-3-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4,4,5,5,6,6,7,7,8,8,8-undecafluoro-octanoic acid CAS Name: 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4,4,5,5,6,6,7,7,8,8,8-undecafluoro-caprylic acid Formula: C16H12F11NO4 MolecularWeight: 491.253215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H12F11NO4/c17-12(18,13(19,20)14(21,22)15(23,24)16(25,26)27)9(6-10(29)30)28-11(31)32-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,28,31)(H,29,30)