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sodium 4-(2-azanylethyl)-3-nitro-benzenesulfonate

sodium 4-(2-azanylethyl)-3-nitro-benzenesulfonate

Systemtic Name:sodium 4-(2-azanylethyl)-3-nitro-benzenesulfonate
Openeye Name:sodium 4-(2-aminoethyl)-3-nitro-benzenesulfonate
CAS Name:sodium 4-(2-aminoethyl)-3-nitrobenzenesulfonate
IUPAC Name:sodium 4-(2-aminoethyl)-3-nitrobenzenesulfonate
Traditional Name:sodium 4-(2-aminoethyl)-3-nitro-besylate
Formula: C8H9N2NaO5S
MolecularWeight: 268.22223
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])CCN.[Na+]


Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])CCN.[Na+]


InChI

InChI=1S/C8H10N2O5S.Na/c9-4-3-6-1-2-7(16(13,14)15)5-8(6)10(11)12;/h1-2,5H,3-4,9H2,(H,13,14,15);/q;+1/p-1


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