4-(ethylamino)-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-(ethylamino)-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(ethylamino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(ethylamino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(ethylamino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(ethylamino)-3,5-dinitro-besylic acid Formula: C8H9N3O7S MolecularWeight: 291.23796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O7S/c1-2-9-8-6(10(12)13)3-5(19(16,17)18)4-7(8)11(14)15/h3-4,9H,2H2,1H3,(H,16,17,18)