sodium 2,4-bis(2-methoxyethoxy)-5-nitro-benzenesulfonate

Systemtic Name: sodium 2,4-bis(2-methoxyethoxy)-5-nitro-benzenesulfonate Openeye Name: sodium 2,4-bis(2-methoxyethoxy)-5-nitro-benzenesulfonate CAS Name: sodium 2,4-bis(2-methoxyethoxy)-5-nitrobenzenesulfonate IUPAC Name: sodium 2,4-bis(2-methoxyethoxy)-5-nitrobenzenesulfonate Traditional Name: sodium 2,4-bis(2-methoxyethoxy)-5-nitro-besylate Formula: C12H16NNaO9S MolecularWeight: 373.31151

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])OCCOC.[Na+]

Isomeric SMILES

COCCOC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])OCCOC.[Na+]

InChI

InChI=1S/C12H17NO9S.Na/c1-19-3-5-21-10-8-11(22-6-4-20-2)12(23(16,17)18)7-9(10)13(14)15;/h7-8H,3-6H2,1-2H3,(H,16,17,18);/q;+1/p-1