2-(diethoxyphosphorylmethyl)-5-nitro-benzenesulfonic acid

Systemtic Name: 2-(diethoxyphosphorylmethyl)-5-nitro-benzenesulfonic acid Openeye Name: 2-(diethoxyphosphorylmethyl)-5-nitro-benzenesulfonic acid CAS Name: 2-(diethoxyphosphorylmethyl)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(diethoxyphosphorylmethyl)-5-nitrobenzenesulfonic acid Traditional Name: 2-(diethoxyphosphorylmethyl)-5-nitro-besylic acid Formula: C11H16NO8PS MolecularWeight: 353.285401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O)OCC

InChI

InChI=1S/C11H16NO8PS/c1-3-19-21(15,20-4-2)8-9-5-6-10(12(13)14)7-11(9)22(16,17)18/h5-7H,3-4,8H2,1-2H3,(H,16,17,18)