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

Systemtic Name: 2-(2-methyl-4,5-dinitro-phenoxy)ethanesulfonic acid Openeye Name: 2-(2-methyl-4,5-dinitro-phenoxy)ethanesulfonic acid CAS Name: 2-(2-methyl-4,5-dinitrophenoxy)ethanesulfonic acid IUPAC Name: 2-(2-methyl-4,5-dinitrophenoxy)ethanesulfonic acid Traditional Name: 2-(2-methyl-4,5-dinitro-phenoxy)ethanesulfonic acid Formula: C9H10N2O8S MolecularWeight: 306.2493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O8S/c1-6-4-7(10(12)13)8(11(14)15)5-9(6)19-2-3-20(16,17)18/h4-5H,2-3H2,1H3,(H,16,17,18)