[4-[[(3R,3aS,6S,7aS)-3-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonyl]-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-6-yl]methoxy]phenyl] 4-heptoxybenzoate

Systemtic Name: [4-[[(3R,3aS,6S,7aS)-3-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonyl]-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-6-yl]methoxy]phenyl] 4-heptoxybenzoate Openeye Name: [4-[[(3R,3aS,6S,7aS)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-6-yl]methoxy]phenyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [4-[[(3R,3aS,6S,7aS)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-6-yl]methoxy]phenyl] ester IUPAC Name: [4-[[(3R,3aS,6S,7aS)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-6-yl]methoxy]phenyl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [4-[[(3R,3aS,6S,7aS)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-6-yl]methoxy]phenyl] ester Formula: C37H37F17O6 MolecularWeight: 900.658934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC3CCC4C(COC4O3)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC[C@@H]3CC[C@H]4[C@H](CO[C@H]4O3)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C37H37F17O6/c1-2-3-4-5-6-17-56-23-9-7-21(8-10-23)28(55)59-25-13-11-24(12-14-25)57-20-26-15-16-27-22(19-58-29(27)60-26)18-30(38,39)31(40,41)32(42,43)33(44,45)34(46,47)35(48,49)36(50,51)37(52,53)54/h7-14,22,26-27,29H,2-6,15-20H2,1H3/t22-,26-,27-,29-/m0/s1