2-(2-methoxy-4,5-dinitro-phenoxy)ethanesulfonic acid

Systemtic Name: 2-(2-methoxy-4,5-dinitro-phenoxy)ethanesulfonic acid Openeye Name: 2-(2-methoxy-4,5-dinitro-phenoxy)ethanesulfonic acid CAS Name: 2-(2-methoxy-4,5-dinitrophenoxy)ethanesulfonic acid IUPAC Name: 2-(2-methoxy-4,5-dinitrophenoxy)ethanesulfonic acid Traditional Name: 2-(2-methoxy-4,5-dinitro-phenoxy)ethanesulfonic acid Formula: C9H10N2O9S MolecularWeight: 322.2487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])OCCS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])OCCS(=O)(=O)O

InChI

InChI=1S/C9H10N2O9S/c1-19-8-4-6(10(12)13)7(11(14)15)5-9(8)20-2-3-21(16,17)18/h4-5H,2-3H2,1H3,(H,16,17,18)