Carbamic acid, [5-[[[2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethoxy]carbonyl]amino]-2-methylphenyl]-, 9-octadecenyl ester, (Z)-

94313-84-5

CAS Name

Carbamic acid, [5-[[[2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethoxy]carbonyl]amino]-2-methylphenyl]-, 9-octadecenyl ester, (Z)-

Molecular Formula

C₃₈H₅₀F₁₇N₃O₆S

Molecular Mass

999.86

Other Names and Identifiers

InChI

InChI=1S/C38H50F17N3O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-63-30(60)57-28-25-27(21-20-26(28)2)56-29(59)64-24-22-58(3)65(61,62)38(54,55)36(49,50)34(45,46)32(41,42)31(39,40)33(43,44)35(47,48)37(51,52)53/h11-12,20-21,25H,4-10,13-19,22-24H2,1-3H3,(H,56,59)(H,57,60)/b12-11-

InChIKey

InChIKey=KNRYNMVWXXLSPN-QXMHVHEDSA-N

SMILES

N(C(OCCN(S(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)(=O)=O)C)=O)C1=CC(NC(OCCCCCCCC/C=C\CCCCCCCC)=O)=C(C)C=C1

Canonical SMILES

O=C(OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC1=CC=C(C(=C1)NC(=O)OCCCCCCCCC=CCCCCCCCC)C

Other Names for this Substance