2-(3,4-dinitrophenoxy)ethanesulfonic acid

Systemtic Name: 2-(3,4-dinitrophenoxy)ethanesulfonic acid Openeye Name: 2-(3,4-dinitrophenoxy)ethanesulfonic acid CAS Name: 2-(3,4-dinitrophenoxy)ethanesulfonic acid IUPAC Name: 2-(3,4-dinitrophenoxy)ethanesulfonic acid Traditional Name: 2-(3,4-dinitrophenoxy)ethanesulfonic acid Formula: C8H8N2O8S MolecularWeight: 292.22272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O8S/c11-9(12)7-2-1-6(5-8(7)10(13)14)18-3-4-19(15,16)17/h1-2,5H,3-4H2,(H,15,16,17)