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Amb1010409

Duplicate ID
Molecule Name 2-hydroxy-5-nitro-N-[2-(octadecylthio)ethyl]benzamide
SmilesCCCCCCCCCCCCCCCCCCSCCNC(=O)c1cc(ccc1O)[N+](=O)[O-]
Cas Number
InchiKeyXFJGJDLLQMPMOQ-UHFFFAOYSA-N
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)
Formula C27H46N2O4S
Molecular weight 494.73
Rings 1
logP 8.939
PSA 120.45
MR 149.207
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