2-[bis(2-hydroxyethyl)amino]ethanol; 2-butan-2-yl-4,6-dinitro-phenol

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-butan-2-yl-4,6-dinitro-phenol Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2,4-dinitro-6-sec-butyl-phenol CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-butan-2-yl-4,6-dinitrophenol IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-butan-2-yl-4,6-dinitrophenol Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2,4-dinitro-6-sec-butyl-phenol Formula: C16H27N3O8 MolecularWeight: 389.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C(CO)N(CCO)CCO

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C(CO)N(CCO)CCO

InChI

InChI=1S/C10H12N2O5.C6H15NO3/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;8-4-1-7(2-5-9)3-6-10/h4-6,13H,3H2,1-2H3;8-10H,1-6H2