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

Systemtic Name: 4-(2-methoxy-4,5-dinitro-phenoxy)butane-1-sulfonic acid Openeye Name: 4-(2-methoxy-4,5-dinitro-phenoxy)butane-1-sulfonic acid CAS Name: 4-(2-methoxy-4,5-dinitrophenoxy)-1-butanesulfonic acid IUPAC Name: 4-(2-methoxy-4,5-dinitrophenoxy)butane-1-sulfonic acid Traditional Name: 4-(2-methoxy-4,5-dinitro-phenoxy)butane-1-sulfonic acid Formula: C11H14N2O9S MolecularWeight: 350.30186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O9S/c1-21-10-6-8(12(14)15)9(13(16)17)7-11(10)22-4-2-3-5-23(18,19)20/h6-7H,2-5H2,1H3,(H,18,19,20)