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2-[[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyloxy)-2-nitro-phenyl]amino]ethanol

2-[[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyloxy)-2-nitro-phenyl]amino]ethanol

Systemtic Name:2-[[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyloxy)-2-nitro-phenyl]amino]ethanol
Openeye Name:2-[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyloxy)-2-nitro-anilino]ethanol
CAS Name:2-hydroxyethanesulfenic acid [3,5-bis(2-hydroxyethylamino)-4-nitrophenyl] ester
IUPAC Name:2-[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyloxy)-2-nitroanilino]ethanol
Traditional Name:2-[3-(2-hydroxyethylamino)-5-(2-hydroxyethylthio)oxy-2-nitro-anilino]ethanol
Formula: C12H19N3O6S
MolecularWeight: 333.36076
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1NCCO)[N+](=O)[O-])NCCO)OSCCO


Isomeric SMILES

C1=C(C=C(C(=C1NCCO)[N+](=O)[O-])NCCO)OSCCO


InChI

InChI=1S/C12H19N3O6S/c16-3-1-13-10-7-9(21-22-6-5-18)8-11(14-2-4-17)12(10)15(19)20/h7-8,13-14,16-18H,1-6H2


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