N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyloctadecan-1-amine

Systemtic Name: N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyloctadecan-1-amine Openeye Name: N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyloctadecan-1-amine CAS Name: 4-nitro-N-octadecyl-2-(trichloromethyl)benzenesulfenamide IUPAC Name: N-[4-nitro-2-(trichloromethyl)phenyl]sulfanyloctadecan-1-amine Traditional Name: [[4-nitro-2-(trichloromethyl)phenyl]thio]-stearyl-amine Formula: C25H41Cl3N2O2S MolecularWeight: 540.02924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNSC1=C(C=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNSC1=C(C=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C25H41Cl3N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-33-24-19-18-22(30(31)32)21-23(24)25(26,27)28/h18-19,21,29H,2-17,20H2,1H3