sodium 3-(2-azanyl-5-nitro-phenyl)sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-(2-azanyl-5-nitro-phenyl)sulfanylpropane-1-sulfonate Openeye Name: sodium 3-(2-amino-5-nitro-phenyl)sulfanylpropane-1-sulfonate CAS Name: sodium 3-[(2-amino-5-nitrophenyl)thio]-1-propanesulfonate IUPAC Name: sodium 3-(2-amino-5-nitrophenyl)sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[(2-amino-5-nitro-phenyl)thio]propane-1-sulfonate Formula: C9H11N2NaO5S2 MolecularWeight: 314.31381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])SCCCS(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])SCCCS(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C9H12N2O5S2.Na/c10-8-3-2-7(11(12)13)6-9(8)17-4-1-5-18(14,15)16;/h2-3,6H,1,4-5,10H2,(H,14,15,16);/q;+1/p-1