ethoxyethane; 2-(1-hydroxyethylsulfonyl)-5-nitro-benzene-1,4-diol

Systemtic Name: ethoxyethane; 2-(1-hydroxyethylsulfonyl)-5-nitro-benzene-1,4-diol Openeye Name: ethoxyethane; 2-(1-hydroxyethylsulfonyl)-5-nitro-benzene-1,4-diol CAS Name: ethoxyethane; 2-(1-hydroxyethylsulfonyl)-5-nitrobenzene-1,4-diol IUPAC Name: ethoxyethane; 2-(1-hydroxyethylsulfonyl)-5-nitrobenzene-1,4-diol Traditional Name: ethoxyethane; 2-(1-hydroxyethylsulfonyl)-5-nitro-hydroquinone Formula: C12H19NO8S MolecularWeight: 337.34616

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.CC(O)S(=O)(=O)C1=C(C=C(C(=C1)O)[N+](=O)[O-])O

Isomeric SMILES

CCOCC.CC(O)S(=O)(=O)C1=C(C=C(C(=C1)O)[N+](=O)[O-])O

InChI

InChI=1S/C8H9NO7S.C4H10O/c1-4(10)17(15,16)8-3-6(11)5(9(13)14)2-7(8)12;1-3-5-4-2/h2-4,10-12H,1H3;3-4H2,1-2H3