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4-(ethylamino)-3-nitro-benzenesulfonate

4-(ethylamino)-3-nitro-benzenesulfonate

Systemtic Name:4-(ethylamino)-3-nitro-benzenesulfonate
Openeye Name:4-(ethylamino)-3-nitro-benzenesulfonate
CAS Name:4-(ethylamino)-3-nitrobenzenesulfonate
IUPAC Name:4-(ethylamino)-3-nitrobenzenesulfonate
Traditional Name:4-(ethylamino)-3-nitro-besylate
Formula: C8H9N2O5S-
MolecularWeight: 245.23246
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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C8H10N2O5S/c1-2-9-7-4-3-6(16(13,14)15)5-8(7)10(11)12/h3-5,9H,2H2,1H3,(H,13,14,15)/p-1


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