N-[2-(2-azanylethyldisulfanyl)ethyl]-N-(2,4-dinitrophenyl)-2,4-dinitro-aniline

Systemtic Name: N-[2-(2-azanylethyldisulfanyl)ethyl]-N-(2,4-dinitrophenyl)-2,4-dinitro-aniline Openeye Name: N-[2-(2-aminoethyldisulfanyl)ethyl]-N-(2,4-dinitrophenyl)-2,4-dinitro-aniline CAS Name: N-[2-(2-aminoethyldisulfanyl)ethyl]-N-(2,4-dinitrophenyl)-2,4-dinitroaniline IUPAC Name: N-[2-(2-aminoethyldisulfanyl)ethyl]-N-(2,4-dinitrophenyl)-2,4-dinitroaniline Traditional Name: 2-(2-aminoethyldisulfanyl)ethyl-bis(2,4-dinitrophenyl)amine Formula: C16H16N6O8S2 MolecularWeight: 484.46364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCSSCCN)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCSSCCN)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O8S2/c17-5-7-31-32-8-6-18(13-3-1-11(19(23)24)9-15(13)21(27)28)14-4-2-12(20(25)26)10-16(14)22(29)30/h1-4,9-10H,5-8,17H2