3-[ethyl-(4-nitroso-3-oxidanyl-phenyl)amino]propane-1-sulfonate

Systemtic Name: 3-[ethyl-(4-nitroso-3-oxidanyl-phenyl)amino]propane-1-sulfonate Openeye Name: 3-(N-ethyl-3-hydroxy-4-nitroso-anilino)propane-1-sulfonate CAS Name: 3-(N-ethyl-3-hydroxy-4-nitrosoanilino)-1-propanesulfonate IUPAC Name: 3-(N-ethyl-3-hydroxy-4-nitrosoanilino)propane-1-sulfonate Traditional Name: 3-(N-ethyl-3-hydroxy-4-nitroso-anilino)propane-1-sulfonate Formula: C11H15N2O5S- MolecularWeight: 287.3122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=O)O

Isomeric SMILES

CCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=O)O

InChI

InChI=1S/C11H16N2O5S/c1-2-13(6-3-7-19(16,17)18)9-4-5-10(12-15)11(14)8-9/h4-5,8,14H,2-3,6-7H2,1H3,(H,16,17,18)/p-1