2-methoxy-6-nitro-4-(thiomorpholin-4-ium-4-ylmethyl)phenolate

Systemtic Name: 2-methoxy-6-nitro-4-(thiomorpholin-4-ium-4-ylmethyl)phenolate Openeye Name: 2-methoxy-6-nitro-4-(thiomorpholin-4-ium-4-ylmethyl)phenolate CAS Name: 2-methoxy-6-nitro-4-(4-thiomorpholin-4-iumylmethyl)phenolate IUPAC Name: 2-methoxy-6-nitro-4-(thiomorpholin-4-ium-4-ylmethyl)phenolate Traditional Name: 2-methoxy-6-nitro-4-(thiomorpholin-4-ium-4-ylmethyl)phenolate Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCSCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCSCC2

InChI

InChI=1S/C12H16N2O4S/c1-18-11-7-9(6-10(12(11)15)14(16)17)8-13-2-4-19-5-3-13/h6-7,15H,2-5,8H2,1H3