2-(2,4-dinitrophenyl)sulfanylethanoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanylethanoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 2-(2,4-dinitrophenyl)sulfanylacetic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 2-[(2,4-dinitrophenyl)thio]acetic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 2-(2,4-dinitrophenyl)sulfanylacetic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 2-[(2,4-dinitrophenyl)thio]acetic acid; 2-(2-hydroxyethylamino)ethanol Formula: C12H17N3O8S MolecularWeight: 363.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)O.C(CO)NCCO

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)O.C(CO)NCCO

InChI

InChI=1S/C8H6N2O6S.C4H11NO2/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2