2-[ethyl(phenylmethoxycarbonyl)amino]ethyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate

Systemtic Name: 2-[ethyl(phenylmethoxycarbonyl)amino]ethyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate Openeye Name: 2-[benzyloxycarbonyl(ethyl)amino]ethyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonic acid IUPAC Name: 2-[ethyl(phenylmethoxycarbonyl)amino]ethyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Traditional Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid 2-[carbobenzoxy(ethyl)amino]ethyl ester Formula: C20H16F17NO5S MolecularWeight: 705.382594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCN(CCOS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H16F17NO5S/c1-2-38(12(39)42-10-11-6-4-3-5-7-11)8-9-43-44(40,41)20(36,37)18(31,32)16(27,28)14(23,24)13(21,22)15(25,26)17(29,30)19(33,34)35/h3-7H,2,8-10H2,1H3