N-(10,11-Dihydro-8-(Methylsulfonyl)Dibenzo(b,f)Thiepin-10-Yl)-1,2-Ethanediamine S-Oxide Compd. With 2,4,6-Trinitrophenol (1:2)
[CAS# 74667-87-1]

Identification

• Name: N-(10,11-Dihydro-8-(Methylsulfonyl)Dibenzo(b,f)Thiepin-10-Yl)-1,2-Ethanediamine S-Oxide Compd. With 2,4,6-Trinitrophenol (1:2)
• Synonyms: Vufb-12503
• Molecular Formula: C₂₉H₂₆N₈O₁₇S₂
• Molecular Weight: 822.69
• CAS Registry Number: 74667-87-1
• SMILES: C1=C3C(=CC=C1[S](=O)(=O)C)[S](=O)C2=CC=CC=C2CC3NCCN.C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C4[N+]([O-])=O)O.C5=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C5[N+]([O-])=O)O
• InChI: 1S/C17H20N2O3S2.2C6H3N3O7/c1-24(21,22)13-6-7-17-14(11-13)15(19-9-8-18)10-12-4-2-3-5-16(12)23(17)20;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7,11,15,19H,8-10,18H2,1H3;2*1-2,10H
• InChIKey: IIGSPFLLXYVKTG-UHFFFAOYSA-N