4-[(4-ethylphenyl)-(2-hydroxyethylamino)amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[(4-ethylphenyl)-(2-hydroxyethylamino)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(4-ethyl-N-(2-hydroxyethylamino)anilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(4-ethyl-N-(2-hydroxyethylamino)anilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(4-ethyl-N-(2-hydroxyethylamino)anilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-ethyl-N-(2-hydroxyethylamino)anilino)-3,5-dinitro-besylic acid Formula: C16H18N4O8S MolecularWeight: 426.40112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])NCCO

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])NCCO

InChI

InChI=1S/C16H18N4O8S/c1-2-11-3-5-12(6-4-11)18(17-7-8-21)16-14(19(22)23)9-13(29(26,27)28)10-15(16)20(24)25/h3-6,9-10,17,21H,2,7-8H2,1H3,(H,26,27,28)