2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2,4-dinitrophenyl)sulfanylethanoic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2,4-dinitrophenyl)sulfanylethanoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2,4-dinitrophenyl)sulfanylacetic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(2,4-dinitrophenyl)thio]acetic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2,4-dinitrophenyl)sulfanylacetic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(2,4-dinitrophenyl)thio]acetic acid Formula: C14H21N3O9S MolecularWeight: 407.39624

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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)N(CCO)CCO

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O6S.C6H15NO3/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16;8-4-1-7(2-5-9)3-6-10/h1-3H,4H2,(H,11,12);8-10H,1-6H2