2-[1-[3-azanyl-2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]ethoxy]ethanol

Systemtic Name: 2-[1-[3-azanyl-2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]ethoxy]ethanol Openeye Name: 2-[1-[3-amino-2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]ethoxy]ethanol CAS Name: 2-[1-[3-amino-2-(2-hydroxyethylsulfonyl)-4-nitrophenyl]ethoxy]ethanol IUPAC Name: 2-[1-[3-amino-2-(2-hydroxyethylsulfonyl)-4-nitrophenyl]ethoxy]ethanol Traditional Name: 2-[1-[3-amino-2-(2-hydroxyethylsulfonyl)-4-nitro-phenyl]ethoxy]ethanol Formula: C12H18N2O7S MolecularWeight: 334.34552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1)[N+](=O)[O-])N)S(=O)(=O)CCO)OCCO

Isomeric SMILES

CC(C1=C(C(=C(C=C1)[N+](=O)[O-])N)S(=O)(=O)CCO)OCCO

InChI

InChI=1S/C12H18N2O7S/c1-8(21-6-4-15)9-2-3-10(14(17)18)11(13)12(9)22(19,20)7-5-16/h2-3,8,15-16H,4-7,13H2,1H3