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5-nitro-N-(2-octadecylsulfanylethyl)-2-oxidanyl-benzamide

5-nitro-N-(2-octadecylsulfanylethyl)-2-oxidanyl-benzamide

Systemtic Name:5-nitro-N-(2-octadecylsulfanylethyl)-2-oxidanyl-benzamide
Openeye Name:2-hydroxy-5-nitro-N-(2-octadecylsulfanylethyl)benzamide
CAS Name:2-hydroxy-5-nitro-N-[2-(octadecylthio)ethyl]benzamide
IUPAC Name:2-hydroxy-5-nitro-N-(2-octadecylsulfanylethyl)benzamide
Traditional Name:2-hydroxy-5-nitro-N-[2-(stearylthio)ethyl]benzamide
Formula: C27H46N2O4S
MolecularWeight: 494.73014
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-22-20-28-27(31)25-23-24(29(32)33)18-19-26(25)30/h18-19,23,30H,2-17,20-22H2,1H3,(H,28,31)


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