2-(2-azanyl-3,5-dinitro-phenyl)sulfonylethanol

Systemtic Name: 2-(2-azanyl-3,5-dinitro-phenyl)sulfonylethanol Openeye Name: 2-(2-amino-3,5-dinitro-phenyl)sulfonylethanol CAS Name: 2-(2-amino-3,5-dinitrophenyl)sulfonylethanol IUPAC Name: 2-(2-amino-3,5-dinitrophenyl)sulfonylethanol Traditional Name: 2-(2-amino-3,5-dinitro-phenyl)sulfonylethanol Formula: C8H9N3O7S MolecularWeight: 291.23796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O7S/c9-8-6(11(15)16)3-5(10(13)14)4-7(8)19(17,18)2-1-12/h3-4,12H,1-2,9H2