2-iodyl-N-octadecanoyl-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: 2-iodyl-N-octadecanoyl-3,5-bis(trifluoromethyl)benzamide Openeye Name: 2-iodyl-N-octadecanoyl-3,5-bis(trifluoromethyl)benzamide CAS Name: 2-iodyl-N-(1-oxooctadecyl)-3,5-bis(trifluoromethyl)benzamide IUPAC Name: 2-iodyl-N-octadecanoyl-3,5-bis(trifluoromethyl)benzamide Traditional Name: 2-iodyl-N-stearoyl-3,5-bis(trifluoromethyl)benzamide Formula: C27H38F6INO4 MolecularWeight: 681.489809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC(=CC(=C1I(=O)=O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC(=CC(=C1I(=O)=O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H38F6INO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(36)35-25(37)21-18-20(26(28,29)30)19-22(27(31,32)33)24(21)34(38)39/h18-19H,2-17H2,1H3,(H,35,36,37)