1-[[3-(1-hydroxyethylsulfonylmethyl)-4-nitro-phenyl]methylsulfonyl]ethanol

Systemtic Name: 1-[[3-(1-hydroxyethylsulfonylmethyl)-4-nitro-phenyl]methylsulfonyl]ethanol Openeye Name: 1-[[3-(1-hydroxyethylsulfonylmethyl)-4-nitro-phenyl]methylsulfonyl]ethanol CAS Name: 1-[[3-(1-hydroxyethylsulfonylmethyl)-4-nitrophenyl]methylsulfonyl]ethanol IUPAC Name: 1-[[3-(1-hydroxyethylsulfonylmethyl)-4-nitrophenyl]methylsulfonyl]ethanol Traditional Name: 1-[3-(1-hydroxyethylsulfonylmethyl)-4-nitro-benzyl]sulfonylethanol Formula: C12H17NO8S2 MolecularWeight: 367.39528

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)S(=O)(=O)CC1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C(C)O

Isomeric SMILES

CC(O)S(=O)(=O)CC1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C(C)O

InChI

InChI=1S/C12H17NO8S2/c1-8(14)22(18,19)6-10-3-4-12(13(16)17)11(5-10)7-23(20,21)9(2)15/h3-5,8-9,14-15H,6-7H2,1-2H3