Chem
J-GLOBAL ID:200907000074685692   Nikkaji number:J156.122G

N-(Acetyloxymethyl)-2-(pentatetracontafluorodocosyl)-3,4-diisocyanato-5-methylbenzamide

N-(アセチルオキシメチル)-2-(ペンタテトラコンタフルオロドコシル)-3,4-ジイソシアナト-5-メチルベンズアミド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C35H10F45N3O5
Molecular formula furigana: C35-H10-F45-N3-O5
Molecular weight: 1407.409
InChI: InChI=1S/C35H10F45N3O5/c1-7-3-9(13(87)83-6-88-8(2)86)10(12(82-5-85)11(7)81-4-84)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)20(48,49)21(50,51)22(52,53)23(54,55)24(56,57)25(58,59)26(60,61)27(62,63)28(64,65)29(66,67)30(68,69)31(70,71)32(72,73)33(74,75)34(76,77)35(78,79)80/h3H,6H2,1-2H3,(H,83,87)
InChI key: LCRDSNRCUIOLEF-UHFFFAOYSA-N
SMILES: CC(=O)OCNC(=O)c1cc(C)c(N=C=O)c(N=C=O)c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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
Systematic name  (3):
  • N-(アセチルオキシメチル)-2-(ペンタテトラコンタフルオロドコシル)-3,4-ジイソシアナト-5-メチルベンズアミド
  • {[3,4-ジイソシアナト-5-メチル-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-ペンタテトラコンタフルオロドコシル)フェニル]ホルムアミド}メチル アセタート
  • {[3,4-diisocyanato-5-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-pentatetracontafluorodocosyl)phenyl]formamido}methyl acetate
Other name (1):
  • N-(Acetyloxymethyl)-2-(pentatetracontafluorodocosyl)-3,4-diisocyanato-5-methylbenzamide
Regulation number (1):
  • (3)-2221
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