4-[(2,4-dinitrophenyl)sulfanyl-ethoxy-sulfanyl-methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(2,4-dinitrophenyl)sulfanyl-ethoxy-sulfanyl-methyl]piperazine-1-carbaldehyde Openeye Name: 4-[(2,4-dinitrophenyl)sulfanyl-ethoxy-sulfanyl-methyl]piperazine-1-carbaldehyde CAS Name: 4-[[(2,4-dinitrophenyl)thio]-ethoxy-mercaptomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(2,4-dinitrophenyl)sulfanyl-ethoxy-sulfanylmethyl]piperazine-1-carbaldehyde Traditional Name: 4-[[(2,4-dinitrophenyl)thio]-ethoxy-mercapto-methyl]piperazine-1-carbaldehyde Formula: C14H18N4O6S2 MolecularWeight: 402.44592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O6S2/c1-2-24-14(25,16-7-5-15(10-19)6-8-16)26-13-4-3-11(17(20)21)9-12(13)18(22)23/h3-4,9-10,25H,2,5-8H2,1H3