3-(2-methoxy-4,5-dinitro-phenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(2-methoxy-4,5-dinitro-phenoxy)propane-1-sulfonic acid Openeye Name: 3-(2-methoxy-4,5-dinitro-phenoxy)propane-1-sulfonic acid CAS Name: 3-(2-methoxy-4,5-dinitrophenoxy)-1-propanesulfonic acid IUPAC Name: 3-(2-methoxy-4,5-dinitrophenoxy)propane-1-sulfonic acid Traditional Name: 3-(2-methoxy-4,5-dinitro-phenoxy)propane-1-sulfonic acid Formula: C10H12N2O9S MolecularWeight: 336.27528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O9S/c1-20-9-5-7(11(13)14)8(12(15)16)6-10(9)21-3-2-4-22(17,18)19/h5-6H,2-4H2,1H3,(H,17,18,19)