FCMD
Food Contact Materials Database
2-[[[(1R,2R)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]cyclohexyl]amino]carbonyl]-3,4,5,6-tetrabromobenzoic acid
CAS Number: 1541182-00-6
IUPAC name: 2-[[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]cyclohexyl]carbamoyl]-3,4,5,6-tetrabromobenzoic acid
Molecular formula: C23H17Br4F6N3O3S
Molecular weight: 849.1
InChI: InChI=1S/C23H17Br4F6N3O3S/c24-15-13(14(20(38)39)16(25)18(27)17(15)26)19(37)35-11-3-1-2-4-12(11)36-21(40)34-10-6-8(22(28,29)30)5-9(7-10)23(31,32)33/h5-7,11-12H,1-4H2,(H,35,37)(H,38,39)(H2,34,36,40)/t11-,12-/m1/s1
InChIKey: SDFMEVFOGNEURX-VXGBXAGGSA-N
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
EINECS: -
