ethoxy-piperidin-1-yl-(2,4,6-trinitrophenyl)sulfanyl-methanethiol

Systemtic Name: ethoxy-piperidin-1-yl-(2,4,6-trinitrophenyl)sulfanyl-methanethiol Openeye Name: ethoxy-(1-piperidyl)-(2,4,6-trinitrophenyl)sulfanyl-methanethiol CAS Name: ethoxy-(1-piperidinyl)-[(2,4,6-trinitrophenyl)thio]methanethiol IUPAC Name: ethoxy-piperidin-1-yl-(2,4,6-trinitrophenyl)sulfanylmethanethiol Traditional Name: ethoxy-(picrylthio)-piperidino-methanethiol Formula: C14H18N4O7S2 MolecularWeight: 418.44532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(N1CCCCC1)(S)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(N1CCCCC1)(S)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O7S2/c1-2-25-14(26,15-6-4-3-5-7-15)27-13-11(17(21)22)8-10(16(19)20)9-12(13)18(23)24/h8-9,26H,2-7H2,1H3