4-nitro-N-(2-octadecylsulfanylethyl)benzamide

Systemtic Name: 4-nitro-N-(2-octadecylsulfanylethyl)benzamide Openeye Name: 4-nitro-N-(2-octadecylsulfanylethyl)benzamide CAS Name: 4-nitro-N-[2-(octadecylthio)ethyl]benzamide IUPAC Name: 4-nitro-N-(2-octadecylsulfanylethyl)benzamide Traditional Name: 4-nitro-N-[2-(stearylthio)ethyl]benzamide Formula: C27H46N2O3S MolecularWeight: 478.73074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C27H46N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-24-22-28-27(30)25-18-20-26(21-19-25)29(31)32/h18-21H,2-17,22-24H2,1H3,(H,28,30)