2-[4-[ethoxy-sulfanyl-(2,4,6-trinitrophenyl)sulfanyl-methyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[ethoxy-sulfanyl-(2,4,6-trinitrophenyl)sulfanyl-methyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[ethoxy-sulfanyl-(2,4,6-trinitrophenyl)sulfanyl-methyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[ethoxy-mercapto-[(2,4,6-trinitrophenyl)thio]methyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[ethoxy-sulfanyl-(2,4,6-trinitrophenyl)sulfanylmethyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[ethoxy-mercapto-(picrylthio)methyl]piperazino]ethanol Formula: C15H21N5O8S2 MolecularWeight: 463.48594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(N1CCN(CC1)CCO)(S)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(N1CCN(CC1)CCO)(S)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O8S2/c1-2-28-15(29,17-5-3-16(4-6-17)7-8-21)30-14-12(19(24)25)9-11(18(22)23)10-13(14)20(26)27/h9-10,21,29H,2-8H2,1H3