1-[2-[2-(2-piperidin-1-ylethoxy)ethoxy]ethyl]piperidine; 2,4,6-trinitrophenol

Systemtic Name: 1-[2-[2-(2-piperidin-1-ylethoxy)ethoxy]ethyl]piperidine; 2,4,6-trinitrophenol Openeye Name: picric acid; 1-[2-[2-[2-(1-piperidyl)ethoxy]ethoxy]ethyl]piperidine CAS Name: 1-[2-[2-[2-(1-piperidinyl)ethoxy]ethoxy]ethyl]piperidine; 2,4,6-trinitrophenol IUPAC Name: 1-[2-[2-(2-piperidin-1-ylethoxy)ethoxy]ethyl]piperidine; 2,4,6-trinitrophenol Traditional Name: picric acid; 1-[2-[2-(2-piperidinoethoxy)ethoxy]ethyl]piperidine Formula: C28H38N8O16 MolecularWeight: 742.64532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOCCOCCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCOCCOCCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H32N2O2.2C6H3N3O7/c1-3-7-17(8-4-1)11-13-19-15-16-20-14-12-18-9-5-2-6-10-18;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-16H2;2*1-2,10H