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

Systemtic Name: 2-[4-[(2,4-dinitrophenyl)sulfanyl-ethoxy-sulfanyl-methyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[(2,4-dinitrophenyl)sulfanyl-ethoxy-sulfanyl-methyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[[(2,4-dinitrophenyl)thio]-ethoxy-mercaptomethyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[(2,4-dinitrophenyl)sulfanyl-ethoxy-sulfanylmethyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[[(2,4-dinitrophenyl)thio]-ethoxy-mercapto-methyl]piperazino]ethanol Formula: C15H22N4O6S2 MolecularWeight: 418.48838

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O6S2/c1-2-25-15(26,17-7-5-16(6-8-17)9-10-20)27-14-4-3-12(18(21)22)11-13(14)19(23)24/h3-4,11,20,26H,2,5-10H2,1H3