N-methyl-2,4,6-trinitro-N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline

Systemtic Name: N-methyl-2,4,6-trinitro-N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline Openeye Name: N-methyl-2,4,6-trinitro-N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline CAS Name: N-methyl-2,4,6-trinitro-N-[2-[(2,4,6-trinitrophenyl)thio]ethyl]aniline IUPAC Name: N-methyl-2,4,6-trinitro-N-[2-(2,4,6-trinitrophenyl)sulfanylethyl]aniline Traditional Name: methyl-picryl-[2-(picrylthio)ethyl]amine Formula: C15H11N7O12S MolecularWeight: 513.35254

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCSC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N7O12S/c1-16(14-10(19(27)28)4-8(17(23)24)5-11(14)20(29)30)2-3-35-15-12(21(31)32)6-9(18(25)26)7-13(15)22(33)34/h4-7H,2-3H2,1H3